(2S)-3-(1H-imidazol-4-yl)-2-{[(2S)-1-[(2S)-4-(methylsulfanyl)-2-[(2S)-pyrrolidin-2-ylformamido]butanoyl]pyrrolidin-2-yl]formamido}propanoic acid

• 常用名: (2S)-3-(1H-imidazol-4-yl)-2-{[(2S)-1-[(2S)-4-(methylsulfanyl)-2-[(2S)-pyrrolidin-2-ylformamido]butanoyl]pyrrolidin-2-yl]formamido}propanoic acid
• 英文名: (2S)-3-(1H-imidazol-4-yl)-2-{[(2S)-1-[(2S)-4-(methylsulfanyl)-2-[(2S)-pyrrolidin-2-ylformamido]butanoyl]pyrrolidin-2-yl]formamido}propanoic acid
• CAS号: 1392835-64-1
• 分子量: 480.6
• 密度: N/A
• 沸点: N/A
• 分子式: C₂₁H₃₂N₆O₅S
• 熔点: N/A
• 闪点: N/A

名称

• 英文名: (2S)-3-(1H-imidazol-4-yl)-2-{[(2S)-1-[(2S)-4-(methylsulfanyl)-2-[(2S)-pyrrolidin-2-ylformamido]butanoyl]pyrrolidin-2-yl]formamido}propanoic acid

物理化学性质

• 分子式: C₂₁H₃₂N₆O₅S
• 分子量: 480.6
• InChIKey: ZHXMRYHBXGGBSZ-QAETUUGQSA-N
• SMILES: CSCCC(NC(=O)C1CCCN1)C(=O)N1CCCC1C(=O)NC(Cc1cnc[nH]1)C(=O)O

靶点实验

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实验名称：HDAC Activity Assay from US Patent US9249087: "HDAC inhibitors and therapeutic method... 来源：BindingDB 靶标：N/A External Id：BindingDB_7790_1

实验名称：Selectivity ratio of IC50 for C-terminal His-tagged human HDAC3 (1 to 428 residues)/N... 来源：ChEMBL 靶标：N/A External Id：CHEMBL4416950

实验名称：Inhibition of recombinant full length human N-terminal GST-tagged HDAC6 expressed in ... 来源：ChEMBL 靶标：Histone deacetylase 6 External Id：CHEMBL4416947

实验名称：Drug concentration in CD-1 mouse plasma at 3 mg/kg, iv measured at 8 mins 来源：ChEMBL 靶标：N/A External Id：CHEMBL4615742

实验名称：Drug concentration in CD-1 mouse brain at 3 mg/kg, iv measured at 60 mins 来源：ChEMBL 靶标：N/A External Id：CHEMBL4615741

实验名称：Ratio of drug level in brain to plasma in CD-1 mouse at 3 mg/kg, iv measured after 8 ... 来源：ChEMBL 靶标：N/A External Id：CHEMBL4615744

实验名称：Drug concentration in CD-1 mouse plasma at 3 mg/kg, iv measured at 60 mins 来源：ChEMBL 靶标：N/A External Id：CHEMBL4615743

实验名称：Ratio of drug level in brain to plasma in CD-1 mouse at 3 mg/kg, iv measured after 60... 来源：ChEMBL 靶标：N/A External Id：CHEMBL4615745

实验名称：In vivo inhibition of HDAC6 in C57BL/6 mouse cortex assessed as increase in alpha tub... 来源：ChEMBL 靶标：Histone deacetylase 6 External Id：CHEMBL4615748

实验名称：Ratio of EC50 for inhibition of HDAC6 in mouse N2A cells assessed as alpha tubulin ac... 来源：ChEMBL 靶标：Histone deacetylase 6 External Id：CHEMBL4615738

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