Methyl ((S)-1-((S)-2-((4-((2S,5S)-1-(4-(Tert-Butyl)Phenyl)-5-(4-((S)-1-((Methoxycarbonyl)-L-Valyl)Pyrrolidine-2-Carboxamido)Phenyl)Pyrrolidin-2-Yl)Phenyl)Carbamoyl)Pyrrolidin-1-Yl)-3-Methyl-1-Oxobutan-2-Yl)Carbamate ((S)-1-((S)-2-((4-((2S,5S)-1-(4-(叔丁基)苯基)-5-(4-((S)-1-((甲氧基羰基)-L-缬氨酰基)吡咯烷-2-甲酰氨基)苯基)吡咯烷-2-基)苯基)氨基甲酰基)吡咯烷-1-基)-3-甲基-1-氧代丁-2-基)甲酸甲酯
CAS 1258226-87-7 MFCD358226877
化学结构图
SMILES: COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccc([C@@H]2CC[C@@H](c3ccc(NC(=O)[C@@H]4CCCN4C(=O)[C@@H](NC(=O)OC)C(C)C)cc3)N2c2ccc(C(C)(C)C)cc2)cc1)C(C)C
化学属性
| Mol. Weight | 894.11 |
|---|---|
| Appearance | Solid powder |
| Solubility | Soluble in DMSO. |
别名和识别编码
| Chemical Name | Methyl ((S)-1-((S)-2-((4-((2S,5S)-1-(4-(Tert-Butyl)Phenyl)-5-(4-((S)-1-((Methoxycarbonyl)-L-Valyl)Pyrrolidine-2-Carboxamido)Phenyl)Pyrrolidin-2-Yl)Phenyl)Carbamoyl)Pyrrolidin-1-Yl)-3-Methyl-1-Oxobutan-2-Yl)Carbamate |
|---|---|
| Chemical Name Translation | ((S)-1-((S)-2-((4-((2S,5S)-1-(4-(叔丁基)苯基)-5-(4-((S)-1-((甲氧基羰基)-L-缬氨酰基)吡咯烷-2-甲酰氨基)苯基)吡咯烷-2-基)苯基)氨基甲酰基)吡咯烷-1-基)-3-甲基-1-氧代丁-2-基)甲酸甲酯 |
| Formula | C50H67N7O8 |
| Synonym | ABT-267; ABT267; ABT 267; Ombitasvir; Viekira Pak. |
| IUPAC Name | L-Prolinamide,2,2'-(((2S,5S)-1-(4-(1,1-dimethylethyl)phenyl)-2,5-pyrrolidinediyl)di-4,1-phenylene)bis(N-(methoxycarbonyl)-L-valyl- |
| InChIKey | ZLLNJSXORCIMOQ-CTWGVMPISA-N |
| InChI | InChI=1S/C50H67N7O8/c1-30(2)49(53-46(62)64-8,44(60)55-28-10-12-40(55)42(51)58)35-18-14-32(15-19-35)38-26-27-39(57(38)37-24-22-34(23-25-37)48(5,6)7)33-16-20-36(21-17-33)50(31(3)4,54-47(63)65-9)45(61)56-29-11-13-41(56)43(52)59/h14-25,30-31,38-41H,10-13,26-29H2,1-9H3,(H2,51,58)(H2,52,59)(H,53,62)(H,54,63)/t38-,39-,40-,41-,49+,50+/m0/s1 |
| Canonical SMILES | CC([C@H](NC(OC)=O)C(N1CCC[C@H]1C(NC2=CC=C([C@@H]3CC[C@@H](C4=CC=C(NC([C@@H]5CCCN5C([C@@H](NC(OC)=O)C(C)C)=O)=O)C=C4)N3C6=CC=C(C(C)(C)C)C=C6)C=C2)=O)=O)C |
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产品应用
- Ombitasvir, also known as ABT-267, is a NS5A inhibitor, and is an antiviral drug for the treatment of hepatitis C virus (HCV) infection. In the United States, it is approved by the Food and Drug Administration for use in combination with paritaprevir, ritonavir and dasabuvir in the product Viekira Pak. Ombitasvir acts by inhibiting the HCV protein NS5A.
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