(S)-3-((S)-2-(2-((2-(Tert-Butyl)Phenyl)Amino)-2-Oxoacetamido)Propanamido)-4-Oxo-5-(2,3,5,6-Tetrafluorophenoxy)Pentanoic Acid (S)-3-((S)-2-(2-((2-(叔丁基)苯基)氨基)-2-氧代乙酰氨基)丙酰胺基)-4-氧代-5-(2,3,5,6-四氟苯氧基)戊酸
CAS 254750-02-2 MFCD54750022
化学结构图
SMILES: C[C@H](NC(=O)C(=O)Nc1ccccc1C(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F
化学属性
| Mol. Weight | 569.51 |
|---|---|
| Appearance | white solid powder |
| Solubility | Soluble in DMSO, not in water |
别名和识别编码
| Chemical Name | (S)-3-((S)-2-(2-((2-(Tert-Butyl)Phenyl)Amino)-2-Oxoacetamido)Propanamido)-4-Oxo-5-(2,3,5,6-Tetrafluorophenoxy)Pentanoic Acid |
|---|---|
| Chemical Name Translation | (S)-3-((S)-2-(2-((2-(叔丁基)苯基)氨基)-2-氧代乙酰氨基)丙酰胺基)-4-氧代-5-(2,3,5,6-四氟苯氧基)戊酸 |
| PubChem Substance ID | 12000240 |
| InChI | InChI=1S/C26H27F4N3O7/c1-12(31-24(38)25(39)32-16-8-6-5-7-13(16)26(2,3)4)23(37)33-17(10-19(35)36)18(34)11-40-22-20(29)14(27)9-15(28)21(22)30/h5-9,12,17H,10-11H2,1-4H3,(H,31,38)(H,32,39)(H,33,37)(H,35,36)/t12-,17-/m0/s1 |
| Synonym | 3-(2-(2-tert-butylphenylaminooxalyl)aminopropionylamino)-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid IDN 6556 IDN-6556 IDN-6556; IDN6556; IDN 6556; PF 03491390; PF-03491390; PF03491390; Emricasan. IDN6556 PF 03491390 PF-03491390 PF03491390 emricasan |
| LabNetwork Molecule ID | LN00201989 |
| Formula | C26H27F4N3O7 |
| IUPAC Name | (S)-3-((S)-2-(2-((2-(tert-butyl)phenyl)amino)-2-oxoacetamido)propanamido)-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid |
| InChIKey | SCVHJVCATBPIHN-SJCJKPOMSA-N |
| Canonical SMILES | O=C(O)C[C@H](NC([C@H](C)NC(C(NC1=CC=CC=C1C(C)(C)C)=O)=O)=O)C(COC2=C(F)C(F)=CC(F)=C2F)=O |
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产品应用
- Emricasan, also known as IDN 6556 and PF 03491390, is a first-in-class caspase inhibitor in clinical trials for the treatment of liver diseases. Emricasan (IDN-6556) decreases liver injury and fibrosis in a murine model of non-alcoholic steatohepatitis. IDN6556 facilitates marginal mass islet engraftment in a porcine islet autotransplant model. Oral IDN-6556 may lower aminotransferase activity in patients with chronic hepatitis C. Orally-administered PF-03491390 is retained in the liver for prolonged periods with low systemic exposure, exerting a hepatoprotective effect against alpha-fas-induced liver injury in a mouse model.
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