Month: October 2021

An article Discovery of Novel Peptidomimetic Boronate ClpP Inhibitors with Noncanonical Enzyme Mechanism as Potent Virulence Blockers in Vitro and in Vivo WOS:000526404600023 published article about AUREUS STRESS TOLERANCE; STAPHYLOCOCCUS-AUREUS; PROTEASE; INSIGHTS; CLEAVAGE; REVEAL; ROLES in [Ju, Yuan; He, Lihui; Zhou, Yuanzheng; Yang, Tao; Sun, Ke; Song, Rao; Yang, Yang; Li, Chengwei; Bao, Rui; Luo, Youfu] Sichuan Univ, State Key Lab Biotherapy, Collaborat Innovat Ctr Biotherapy, West China Hosp, Chengdu 610041, Peoples R China; [Ju, Yuan; He, Lihui; Zhou, Yuanzheng; Yang, Tao; Sun, Ke; Song, Rao; Yang, Yang; Li, Chengwei; Bao, Rui; Luo, Youfu] Sichuan Univ, Canc Ctr, Collaborat Innovat Ctr Biotherapy, West China Hosp, Chengdu 610041, Peoples R China; [Sang, Zitai] Luoyang Normal Univ, Inst Life Sci, Luoyang 471934, Henan, Peoples R China in 2020, Cited 53. Name: (R)-BoroLeu-(+)-Pinanediol trifluoroacetate. The Name is (R)-BoroLeu-(+)-Pinanediol trifluoroacetate. Through research, I have a further understanding and discovery of 179324-87-9

Caseinolytic protease P (ClpP) is considered as a promising target for the treatment of Staphylococcus aureus infections. In an unbiased screen of 2632 molecules, a peptidomimetic boronate, MLN9708, was found to be a potent suppressor of SaClpP function. A time-saving and cost-efficient strategy integrating in silico position scanning, multistep miniaturized synthesis, and bioactivity testing was deployed for optimization of this hit compound and led to fast exploration of structure-activity relationships. Five of 150 compounds from the miniaturized synthesis exhibited improved inhibitory activity. Compound 43Hf was the most active inhibitor and showed reversible covalent binding to SaClpP while did not destabilize the tetradecameric structure of SaClpP. The crystal structure of 43Hf-SaClpP complex provided mechanistic insight into the covalent binding mode of peptidomimetic boronate and SaClpP. Furthermore, 43Hf could bind endogenous ClpP in S. aureus cells and exhibited significant efficacy in attenuating S. aureus virulence in vitro and in vivo.

Bye, fridends, I hope you can learn more about C17H29BF3NO4, If you have any questions, you can browse other blog as well. See you lster.. Name: (R)-BoroLeu-(+)-Pinanediol trifluoroacetate

Reference:
1,8-Naphthyridine – Wikipedia,
,1,8-Naphthyridine | C8H6N2 – PubChem

Recently I am researching about AUREUS STRESS TOLERANCE; STAPHYLOCOCCUS-AUREUS; PROTEASE; INSIGHTS; CLEAVAGE; REVEAL; ROLES, Saw an article supported by the National Mega-project for Innovative Drugs [2019ZX09721001-001-001]; National Natural Science Foundation of ChinaNational Natural Science Foundation of China (NSFC) [81973368, 81670008, 81871615]; National Key Research and Development Plan [SQ2016YFJC040104]. Published in AMER CHEMICAL SOC in WASHINGTON ,Authors: Ju, Y; He, LH; Zhou, YZ; Yang, T; Sun, K; Song, R; Yang, Y; Li, CW; Sang, ZT; Bao, R; Luo, YF. The CAS is 179324-87-9. Through research, I have a further understanding and discovery of (R)-BoroLeu-(+)-Pinanediol trifluoroacetate. SDS of cas: 179324-87-9

Caseinolytic protease P (ClpP) is considered as a promising target for the treatment of Staphylococcus aureus infections. In an unbiased screen of 2632 molecules, a peptidomimetic boronate, MLN9708, was found to be a potent suppressor of SaClpP function. A time-saving and cost-efficient strategy integrating in silico position scanning, multistep miniaturized synthesis, and bioactivity testing was deployed for optimization of this hit compound and led to fast exploration of structure-activity relationships. Five of 150 compounds from the miniaturized synthesis exhibited improved inhibitory activity. Compound 43Hf was the most active inhibitor and showed reversible covalent binding to SaClpP while did not destabilize the tetradecameric structure of SaClpP. The crystal structure of 43Hf-SaClpP complex provided mechanistic insight into the covalent binding mode of peptidomimetic boronate and SaClpP. Furthermore, 43Hf could bind endogenous ClpP in S. aureus cells and exhibited significant efficacy in attenuating S. aureus virulence in vitro and in vivo.

Bye, fridends, I hope you can learn more about C17H29BF3NO4, If you have any questions, you can browse other blog as well. See you lster.. COA of Formula: C17H29BF3NO4

Reference:
1,8-Naphthyridine – Wikipedia,
,1,8-Naphthyridine | C8H6N2 – PubChem

In 2020 J MED CHEM published article about AUREUS STRESS TOLERANCE; STAPHYLOCOCCUS-AUREUS; PROTEASE; INSIGHTS; CLEAVAGE; REVEAL; ROLES in [Ju, Yuan; He, Lihui; Zhou, Yuanzheng; Yang, Tao; Sun, Ke; Song, Rao; Yang, Yang; Li, Chengwei; Bao, Rui; Luo, Youfu] Sichuan Univ, State Key Lab Biotherapy, Collaborat Innovat Ctr Biotherapy, West China Hosp, Chengdu 610041, Peoples R China; [Ju, Yuan; He, Lihui; Zhou, Yuanzheng; Yang, Tao; Sun, Ke; Song, Rao; Yang, Yang; Li, Chengwei; Bao, Rui; Luo, Youfu] Sichuan Univ, Canc Ctr, Collaborat Innovat Ctr Biotherapy, West China Hosp, Chengdu 610041, Peoples R China; [Sang, Zitai] Luoyang Normal Univ, Inst Life Sci, Luoyang 471934, Henan, Peoples R China in 2020, Cited 53. The Name is (R)-BoroLeu-(+)-Pinanediol trifluoroacetate. Through research, I have a further understanding and discovery of 179324-87-9. HPLC of Formula: C17H29BF3NO4

Caseinolytic protease P (ClpP) is considered as a promising target for the treatment of Staphylococcus aureus infections. In an unbiased screen of 2632 molecules, a peptidomimetic boronate, MLN9708, was found to be a potent suppressor of SaClpP function. A time-saving and cost-efficient strategy integrating in silico position scanning, multistep miniaturized synthesis, and bioactivity testing was deployed for optimization of this hit compound and led to fast exploration of structure-activity relationships. Five of 150 compounds from the miniaturized synthesis exhibited improved inhibitory activity. Compound 43Hf was the most active inhibitor and showed reversible covalent binding to SaClpP while did not destabilize the tetradecameric structure of SaClpP. The crystal structure of 43Hf-SaClpP complex provided mechanistic insight into the covalent binding mode of peptidomimetic boronate and SaClpP. Furthermore, 43Hf could bind endogenous ClpP in S. aureus cells and exhibited significant efficacy in attenuating S. aureus virulence in vitro and in vivo.

Bye, fridends, I hope you can learn more about C17H29BF3NO4, If you have any questions, you can browse other blog as well. See you lster.. SDS of cas: 179324-87-9

Reference:
1,8-Naphthyridine – Wikipedia,
,1,8-Naphthyridine | C8H6N2 – PubChem

Recently I am researching about AUREUS STRESS TOLERANCE; STAPHYLOCOCCUS-AUREUS; PROTEASE; INSIGHTS; CLEAVAGE; REVEAL; ROLES, Saw an article supported by the National Mega-project for Innovative Drugs [2019ZX09721001-001-001]; National Natural Science Foundation of ChinaNational Natural Science Foundation of China (NSFC) [81973368, 81670008, 81871615]; National Key Research and Development Plan [SQ2016YFJC040104]. Published in AMER CHEMICAL SOC in WASHINGTON ,Authors: Ju, Y; He, LH; Zhou, YZ; Yang, T; Sun, K; Song, R; Yang, Y; Li, CW; Sang, ZT; Bao, R; Luo, YF. The CAS is 179324-87-9. Through research, I have a further understanding and discovery of (R)-BoroLeu-(+)-Pinanediol trifluoroacetate. Quality Control of (R)-BoroLeu-(+)-Pinanediol trifluoroacetate

Caseinolytic protease P (ClpP) is considered as a promising target for the treatment of Staphylococcus aureus infections. In an unbiased screen of 2632 molecules, a peptidomimetic boronate, MLN9708, was found to be a potent suppressor of SaClpP function. A time-saving and cost-efficient strategy integrating in silico position scanning, multistep miniaturized synthesis, and bioactivity testing was deployed for optimization of this hit compound and led to fast exploration of structure-activity relationships. Five of 150 compounds from the miniaturized synthesis exhibited improved inhibitory activity. Compound 43Hf was the most active inhibitor and showed reversible covalent binding to SaClpP while did not destabilize the tetradecameric structure of SaClpP. The crystal structure of 43Hf-SaClpP complex provided mechanistic insight into the covalent binding mode of peptidomimetic boronate and SaClpP. Furthermore, 43Hf could bind endogenous ClpP in S. aureus cells and exhibited significant efficacy in attenuating S. aureus virulence in vitro and in vivo.

Bye, fridends, I hope you can learn more about C17H29BF3NO4, If you have any questions, you can browse other blog as well. See you lster.. Name: (R)-BoroLeu-(+)-Pinanediol trifluoroacetate

Reference:
1,8-Naphthyridine – Wikipedia,
,1,8-Naphthyridine | C8H6N2 – PubChem

In 2019 ORG BIOMOL CHEM published article about BIOLOGICAL EVALUATION; 20S PROTEASOME; IN-VITRO; BORTEZOMIB; DESIGN; RESISTANCE; RISK in [Lei, Meng; Feng, Huayun] Nanjing Forestry Univ, Coll Sci, 159 Longpan Rd, Nanjing 210037, Jiangsu, Peoples R China; [Bai, Enhe; Zhou, Hui; Zhang, Haoyang; Wang, Xueyuan; Zhu, Yongqiang] Nanjing Normal Univ, Coll Life Sci, 1 Wenyuan Rd, Nanjing 210037, Jiangsu, Peoples R China; [Wang, Jia; Liu, Zhaogang; Hai, Ou; Liu, Jia] Jiangsu Chia Tai Fenghai Pharmaceut Co Ltd, 9 Weidi Rd, Nanjing 210046, Jiangsu, Peoples R China; [Qin, Yanru] Qilu Univ Technol, Shandong Acad Sci, Sch Bioengn, 3501 Daxue Rd, Jinan 250353, Shandong, Peoples R China in 2019, Cited 30. The Name is (R)-BoroLeu-(+)-Pinanediol trifluoroacetate. Through research, I have a further understanding and discovery of 179324-87-9. Computed Properties of C17H29BF3NO4

A series of novel dipeptidyl boronic acid compounds were designed, synthesized and biologically investigated for the inhibition of the 5 subunit of 20S proteasome and several compounds showed high activities with IC50 values of less than 10 nM. Some of these compounds potently inhibited the multiple myeloma (MM) cancer cell lines with IC50 values of less than 10 nM. It was reported that the inhibition of both 2 and 5 subunits strongly increased the cytotoxicity of proteasome inhibitors in solid tumor cells, so some of the compounds were evaluated for the inhibition of the 2 subunit and the solid tumor triple-negative breast cancer cell line MDA-MB-231. The results showed that three compounds were active for both the 2 subunit and the triple-negative breast cancer cell line MDA-MB-231. The in vivo pharmacokinetic results showed that compound 8t had good biological parameters for both ig and iv administrations. An in vivo pharmacodynamic experiment showed that compound 8t inhibited the 5 subunit in whole blood more greatly than the marketed MLN9708 with the same dose at different time periods. A pathological analysis indicated that the injection of compound 8t in the tumor of a triple-negative breast cancer xenograft mice model led to tumor cell necrosis, nucleus condensation, deep staining, cell fragmentation, dissolution and neutrophil infiltration compared with the control group. The data in hand showed that compound 8t might be an effective candidate for the treatment of both MM and triple-negative breast cancer.

Bye, fridends, I hope you can learn more about C17H29BF3NO4, If you have any questions, you can browse other blog as well. See you lster.. Computed Properties of C17H29BF3NO4

Reference:
1,8-Naphthyridine – Wikipedia,
,1,8-Naphthyridine | C8H6N2 – PubChem

An article Discovery of a novel dipeptidyl boronic acid proteasome inhibitor for the treatment of multiple myeloma and triple- negative breast cancer WOS:000458578900029 published article about BIOLOGICAL EVALUATION; 20S PROTEASOME; IN-VITRO; BORTEZOMIB; DESIGN; RESISTANCE; RISK in [Lei, Meng; Feng, Huayun] Nanjing Forestry Univ, Coll Sci, 159 Longpan Rd, Nanjing 210037, Jiangsu, Peoples R China; [Bai, Enhe; Zhou, Hui; Zhang, Haoyang; Wang, Xueyuan; Zhu, Yongqiang] Nanjing Normal Univ, Coll Life Sci, 1 Wenyuan Rd, Nanjing 210037, Jiangsu, Peoples R China; [Wang, Jia; Liu, Zhaogang; Hai, Ou; Liu, Jia] Jiangsu Chia Tai Fenghai Pharmaceut Co Ltd, 9 Weidi Rd, Nanjing 210046, Jiangsu, Peoples R China; [Qin, Yanru] Qilu Univ Technol, Shandong Acad Sci, Sch Bioengn, 3501 Daxue Rd, Jinan 250353, Shandong, Peoples R China in 2019, Cited 30. The Name is (R)-BoroLeu-(+)-Pinanediol trifluoroacetate. Through research, I have a further understanding and discovery of 179324-87-9. Recommanded Product: 179324-87-9

A series of novel dipeptidyl boronic acid compounds were designed, synthesized and biologically investigated for the inhibition of the 5 subunit of 20S proteasome and several compounds showed high activities with IC50 values of less than 10 nM. Some of these compounds potently inhibited the multiple myeloma (MM) cancer cell lines with IC50 values of less than 10 nM. It was reported that the inhibition of both 2 and 5 subunits strongly increased the cytotoxicity of proteasome inhibitors in solid tumor cells, so some of the compounds were evaluated for the inhibition of the 2 subunit and the solid tumor triple-negative breast cancer cell line MDA-MB-231. The results showed that three compounds were active for both the 2 subunit and the triple-negative breast cancer cell line MDA-MB-231. The in vivo pharmacokinetic results showed that compound 8t had good biological parameters for both ig and iv administrations. An in vivo pharmacodynamic experiment showed that compound 8t inhibited the 5 subunit in whole blood more greatly than the marketed MLN9708 with the same dose at different time periods. A pathological analysis indicated that the injection of compound 8t in the tumor of a triple-negative breast cancer xenograft mice model led to tumor cell necrosis, nucleus condensation, deep staining, cell fragmentation, dissolution and neutrophil infiltration compared with the control group. The data in hand showed that compound 8t might be an effective candidate for the treatment of both MM and triple-negative breast cancer.

Bye, fridends, I hope you can learn more about C17H29BF3NO4, If you have any questions, you can browse other blog as well. See you lster.. HPLC of Formula: C17H29BF3NO4

Reference:
1,8-Naphthyridine – Wikipedia,
,1,8-Naphthyridine | C8H6N2 – PubChem

In 2020 J MED CHEM published article about AUREUS STRESS TOLERANCE; STAPHYLOCOCCUS-AUREUS; PROTEASE; INSIGHTS; CLEAVAGE; REVEAL; ROLES in [Ju, Yuan; He, Lihui; Zhou, Yuanzheng; Yang, Tao; Sun, Ke; Song, Rao; Yang, Yang; Li, Chengwei; Bao, Rui; Luo, Youfu] Sichuan Univ, State Key Lab Biotherapy, Collaborat Innovat Ctr Biotherapy, West China Hosp, Chengdu 610041, Peoples R China; [Ju, Yuan; He, Lihui; Zhou, Yuanzheng; Yang, Tao; Sun, Ke; Song, Rao; Yang, Yang; Li, Chengwei; Bao, Rui; Luo, Youfu] Sichuan Univ, Canc Ctr, Collaborat Innovat Ctr Biotherapy, West China Hosp, Chengdu 610041, Peoples R China; [Sang, Zitai] Luoyang Normal Univ, Inst Life Sci, Luoyang 471934, Henan, Peoples R China in 2020, Cited 53. The Name is (R)-BoroLeu-(+)-Pinanediol trifluoroacetate. Through research, I have a further understanding and discovery of 179324-87-9. COA of Formula: C17H29BF3NO4

Caseinolytic protease P (ClpP) is considered as a promising target for the treatment of Staphylococcus aureus infections. In an unbiased screen of 2632 molecules, a peptidomimetic boronate, MLN9708, was found to be a potent suppressor of SaClpP function. A time-saving and cost-efficient strategy integrating in silico position scanning, multistep miniaturized synthesis, and bioactivity testing was deployed for optimization of this hit compound and led to fast exploration of structure-activity relationships. Five of 150 compounds from the miniaturized synthesis exhibited improved inhibitory activity. Compound 43Hf was the most active inhibitor and showed reversible covalent binding to SaClpP while did not destabilize the tetradecameric structure of SaClpP. The crystal structure of 43Hf-SaClpP complex provided mechanistic insight into the covalent binding mode of peptidomimetic boronate and SaClpP. Furthermore, 43Hf could bind endogenous ClpP in S. aureus cells and exhibited significant efficacy in attenuating S. aureus virulence in vitro and in vivo.

Bye, fridends, I hope you can learn more about C17H29BF3NO4, If you have any questions, you can browse other blog as well. See you lster.. COA of Formula: C17H29BF3NO4

Reference:
1,8-Naphthyridine – Wikipedia,
,1,8-Naphthyridine | C8H6N2 – PubChem

I found the field of Pharmacology & Pharmacy very interesting. Saw the article Discovery of Novel Peptidomimetic Boronate ClpP Inhibitors with Noncanonical Enzyme Mechanism as Potent Virulence Blockers in Vitro and in Vivo published in 2020. Safety of (R)-BoroLeu-(+)-Pinanediol trifluoroacetate, Reprint Addresses Bao, R; Luo, YF (corresponding author), Sichuan Univ, State Key Lab Biotherapy, Collaborat Innovat Ctr Biotherapy, West China Hosp, Chengdu 610041, Peoples R China.; Bao, R; Luo, YF (corresponding author), Sichuan Univ, Canc Ctr, Collaborat Innovat Ctr Biotherapy, West China Hosp, Chengdu 610041, Peoples R China.. The CAS is 179324-87-9. Through research, I have a further understanding and discovery of (R)-BoroLeu-(+)-Pinanediol trifluoroacetate

Caseinolytic protease P (ClpP) is considered as a promising target for the treatment of Staphylococcus aureus infections. In an unbiased screen of 2632 molecules, a peptidomimetic boronate, MLN9708, was found to be a potent suppressor of SaClpP function. A time-saving and cost-efficient strategy integrating in silico position scanning, multistep miniaturized synthesis, and bioactivity testing was deployed for optimization of this hit compound and led to fast exploration of structure-activity relationships. Five of 150 compounds from the miniaturized synthesis exhibited improved inhibitory activity. Compound 43Hf was the most active inhibitor and showed reversible covalent binding to SaClpP while did not destabilize the tetradecameric structure of SaClpP. The crystal structure of 43Hf-SaClpP complex provided mechanistic insight into the covalent binding mode of peptidomimetic boronate and SaClpP. Furthermore, 43Hf could bind endogenous ClpP in S. aureus cells and exhibited significant efficacy in attenuating S. aureus virulence in vitro and in vivo.

Bye, fridends, I hope you can learn more about C17H29BF3NO4, If you have any questions, you can browse other blog as well. See you lster.. Quality Control of (R)-BoroLeu-(+)-Pinanediol trifluoroacetate

Reference:
1,8-Naphthyridine – Wikipedia,
,1,8-Naphthyridine | C8H6N2 – PubChem

Recommanded Product: 179324-87-9. Ju, Y; He, LH; Zhou, YZ; Yang, T; Sun, K; Song, R; Yang, Y; Li, CW; Sang, ZT; Bao, R; Luo, YF in [Ju, Yuan; He, Lihui; Zhou, Yuanzheng; Yang, Tao; Sun, Ke; Song, Rao; Yang, Yang; Li, Chengwei; Bao, Rui; Luo, Youfu] Sichuan Univ, State Key Lab Biotherapy, Collaborat Innovat Ctr Biotherapy, West China Hosp, Chengdu 610041, Peoples R China; [Ju, Yuan; He, Lihui; Zhou, Yuanzheng; Yang, Tao; Sun, Ke; Song, Rao; Yang, Yang; Li, Chengwei; Bao, Rui; Luo, Youfu] Sichuan Univ, Canc Ctr, Collaborat Innovat Ctr Biotherapy, West China Hosp, Chengdu 610041, Peoples R China; [Sang, Zitai] Luoyang Normal Univ, Inst Life Sci, Luoyang 471934, Henan, Peoples R China published Discovery of Novel Peptidomimetic Boronate ClpP Inhibitors with Noncanonical Enzyme Mechanism as Potent Virulence Blockers in Vitro and in Vivo in 2020, Cited 53. The Name is (R)-BoroLeu-(+)-Pinanediol trifluoroacetate. Through research, I have a further understanding and discovery of 179324-87-9.

Caseinolytic protease P (ClpP) is considered as a promising target for the treatment of Staphylococcus aureus infections. In an unbiased screen of 2632 molecules, a peptidomimetic boronate, MLN9708, was found to be a potent suppressor of SaClpP function. A time-saving and cost-efficient strategy integrating in silico position scanning, multistep miniaturized synthesis, and bioactivity testing was deployed for optimization of this hit compound and led to fast exploration of structure-activity relationships. Five of 150 compounds from the miniaturized synthesis exhibited improved inhibitory activity. Compound 43Hf was the most active inhibitor and showed reversible covalent binding to SaClpP while did not destabilize the tetradecameric structure of SaClpP. The crystal structure of 43Hf-SaClpP complex provided mechanistic insight into the covalent binding mode of peptidomimetic boronate and SaClpP. Furthermore, 43Hf could bind endogenous ClpP in S. aureus cells and exhibited significant efficacy in attenuating S. aureus virulence in vitro and in vivo.

Bye, fridends, I hope you can learn more about C17H29BF3NO4, If you have any questions, you can browse other blog as well. See you lster.. SDS of cas: 179324-87-9

Reference:
1,8-Naphthyridine – Wikipedia,
,1,8-Naphthyridine | C8H6N2 – PubChem

I found the field of Pharmacology & Pharmacy very interesting. Saw the article Discovery of Novel Peptidomimetic Boronate ClpP Inhibitors with Noncanonical Enzyme Mechanism as Potent Virulence Blockers in Vitro and in Vivo published in 2020. SDS of cas: 179324-87-9, Reprint Addresses Bao, R; Luo, YF (corresponding author), Sichuan Univ, State Key Lab Biotherapy, Collaborat Innovat Ctr Biotherapy, West China Hosp, Chengdu 610041, Peoples R China.; Bao, R; Luo, YF (corresponding author), Sichuan Univ, Canc Ctr, Collaborat Innovat Ctr Biotherapy, West China Hosp, Chengdu 610041, Peoples R China.. The CAS is 179324-87-9. Through research, I have a further understanding and discovery of (R)-BoroLeu-(+)-Pinanediol trifluoroacetate

Caseinolytic protease P (ClpP) is considered as a promising target for the treatment of Staphylococcus aureus infections. In an unbiased screen of 2632 molecules, a peptidomimetic boronate, MLN9708, was found to be a potent suppressor of SaClpP function. A time-saving and cost-efficient strategy integrating in silico position scanning, multistep miniaturized synthesis, and bioactivity testing was deployed for optimization of this hit compound and led to fast exploration of structure-activity relationships. Five of 150 compounds from the miniaturized synthesis exhibited improved inhibitory activity. Compound 43Hf was the most active inhibitor and showed reversible covalent binding to SaClpP while did not destabilize the tetradecameric structure of SaClpP. The crystal structure of 43Hf-SaClpP complex provided mechanistic insight into the covalent binding mode of peptidomimetic boronate and SaClpP. Furthermore, 43Hf could bind endogenous ClpP in S. aureus cells and exhibited significant efficacy in attenuating S. aureus virulence in vitro and in vivo.

Bye, fridends, I hope you can learn more about C17H29BF3NO4, If you have any questions, you can browse other blog as well. See you lster.. Application In Synthesis of (R)-BoroLeu-(+)-Pinanediol trifluoroacetate

Reference:
1,8-Naphthyridine – Wikipedia,
,1,8-Naphthyridine | C8H6N2 – PubChem