(3S,6S,9R,10R,11S,12S,13Z,15Z,18S,21R)-18-[(2E,4E,8S,9S)-10-[(2S,3R,4S,5S,6R,9S,11S)-9-ethyl-4-hydroxy-3,5,11-trimethyl-8-oxo-1-oxa-7-azaspiro[5.5]undecan-2-yl]-9-hydroxy-8-methyldeca-2,4-dien-2-yl]-10,12-dihydroxy-3-[(3-hydroxyphenyl)methyl]-11-methyl-9-(3-oxobutyl)-6-propan-2-yl-19-oxa-1,4,7,25-tetrazabicyclo[19.3.1]pentacosa-13,15-diene-2,5,8,20-tetrone

• 常用名: (3S,6S,9R,10R,11S,12S,13Z,15Z,18S,21R)-18-[(2E,4E,8S,9S)-10-[(2S,3R,4S,5S,6R,9S,11S)-9-ethyl-4-hydroxy-3,5,11-trimethyl-8-oxo-1-oxa-7-azaspiro[5.5]undecan-2-yl]-9-hydroxy-8-methyldeca-2,4-dien-2-yl]-10,12-dihydroxy-3-[(3-hydroxyphenyl)methyl]-11-methyl-9-(3-oxobutyl)-6-propan-2-yl-19-oxa-1,4,7,25-tetrazabicyclo[19.3.1]pentacosa-13,15-diene-2,5,8,20-tetrone
• 英文名: (3S,6S,9R,10R,11S,12S,13Z,15Z,18S,21R)-18-[(2E,4E,8S,9S)-10-[(2S,3R,4S,5S,6R,9S,11S)-9-ethyl-4-hydroxy-3,5,11-trimethyl-8-oxo-1-oxa-7-azaspiro[5.5]undecan-2-yl]-9-hydroxy-8-methyldeca-2,4-dien-2-yl]-10,12-dihydroxy-3-[(3-hydroxyphenyl)methyl]-11-methyl-9-(3-oxobutyl)-6-propan-2-yl-19-oxa-1,4,7,25-tetrazabicyclo[19.3.1]pentacosa-13,15-diene-2,5,8,20-tetrone
• CAS号: 187148-13-6
• 分子量: 1090.4
• 密度: N/A
• 沸点: N/A
• 分子式: C₆₀H₉₁N₅O₁₃
• 熔点: N/A
• 闪点: N/A

名称

• 英文名: (3S,6S,9R,10R,11S,12S,13Z,15Z,18S,21R)-18-[(2E,4E,8S,9S)-10-[(2S,3R,4S,5S,6R,9S,11S)-9-ethyl-4-hydroxy-3,5,11-trimethyl-8-oxo-1-oxa-7-azaspiro[5.5]undecan-2-yl]-9-hydroxy-8-methyldeca-2,4-dien-2-yl]-10,12-dihydroxy-3-[(3-hydroxyphenyl)methyl]-11-methyl-9-(3-oxobutyl)-6-propan-2-yl-19-oxa-1,4,7,25-tetrazabicyclo[19.3.1]pentacosa-13,15-diene-2,5,8,20-tetrone

物理化学性质

• 分子式: C₆₀H₉₁N₅O₁₃
• 分子量: 1090.4
• InChIKey: ONJZYZYZIKTIEG-CFBQITSMSA-N
• SMILES: CCC1CC(C)C2(NC1=O)OC(CC(O)C(C)CCC=CC=C(C)C1CC=CC=CC(O)C(C)C(O)C(CCC(C)=O)C(=O)NC(C(C)C)C(=O)NC(Cc3cccc(O)c3)C(=O)N3CCCC(N3)C(=O)O1)C(C)C(O)C2C

靶点实验

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实验名称：USP8 deubiquitinase inhibition: Primary qHTS 来源：24642 靶标：ubiquitin specific peptidase 8 External Id：USP8 FAST DUB HTS Primary

实验名称：Inhibition of Cy5-labeled cyclosporin A binding to full length recombinant human N-te... 来源：ChEMBL 靶标：Peptidyl-prolyl cis-trans isomerase A External Id：CHEMBL4157512

实验名称：Immunosuppressive activity was assessed by mixed lymphocyte reaction relative to Sang... 来源：ChEMBL 靶标：N/A External Id：CHEMBL844733

实验名称：USP17 deubiquitinase inhibition: Primary qHTS 来源：24642 靶标：ubiquitin specific peptidase 17 like family member 5 External Id：USP17 FAST DUB HTS Primary

实验名称：Experimentally measured binding affinity data (IC50) for protein-ligand complexes der... 来源：Shanghai Institute of Organic Chemistry 靶标：N/A External Id：PDBbind-IC50 for protein-ligand complexes

实验名称：USP7 deubiquitinase inhibition: Primary qHTS 来源：24642 靶标：ubiquitin specific peptidase 7 External Id：USP7 FAST DUB HTS Primary

实验名称：Permeation ratio of cell-free CyP binding to intracellular CyP binding 来源：ChEMBL 靶标：Peptidyl-prolyl cis-trans isomerase A External Id：CHEMBL843624

实验名称：Mean relative IC50 cell free CyP-binding was assessed by competition with the interac... 来源：ChEMBL 靶标：Peptidyl-prolyl cis-trans isomerase A External Id：CHEMBL665737

实验名称：Mean relative IC50 intracellular CyP-binding was assessed by competition with the who... 来源：ChEMBL 靶标：Peptidyl-prolyl cis-trans isomerase A External Id：CHEMBL665738

实验名称：USP28 deubiquitinase inhibition: Primary qHTS 来源：24642 靶标：ubiquitin specific peptidase 28 External Id：USP28 FAST DUB HTS Primary

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