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Ciluprevir , Hepatitis C virus serine protease, NS3/NS4A inhibitor, CAS No.300832-84-2, Hepatitis C virus serine protease, NS3/NS4A inhibitor
Basic Description
| Synonyms | (cyclopentoxycarbonylamino)-[[2-[2-(isopropylamino)thiazol-4-yl]-7-methoxy-4-quinolyl]oxy]-dioxo-[?]carboxylic acid | F2145-0237 | (2R,6S,12Z,13aS,14aR,16aS)-6-(((Cyclopentyloxy)carbonyl)amino)-2-((7-methoxy-2-(2-((1-methylethyl)amino)thiazol-4-yl)quinoli |
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| Biochemical and Physiological Mechanisms |
Ciluprevir (BILN-2061; BILN 2061; BILN 2061ZW) is useful for Anti HCV. |
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| Storage Temp | Store at -20°C |
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| Shipped In | Ice chest + Ice pads |
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| Action Type | INHIBITOR |
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| Mechanism of action | Hepatitis C virus serine protease, NS3/NS4A inhibitor |
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Associated Targets(Human)
Associated Targets(non-human)
Names and Identifiers
| IUPAC Name | (1S,4R,6S,7Z,14S,18R)-14-(cyclopentyloxycarbonylamino)-18-[7-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid |
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| INCHI | InChI=1S/C40H50N6O8S/c1-23(2)41-38-43-32(22-55-38)31-19-34(28-16-15-26(52-3)17-30(28)42-31)53-27-18-33-35(47)45-40(37(49)50)20-24(40)11-7-5-4-6-8-14-29(36(48)46(33)21-27)44-39(51)54-25-12-9-10-13-25/h7,11,15-17,19,22-25,27,29,33H,4-6,8-10,12-14,18,20-21H2,1-3H3,(H,41,43)(H,44,51)(H,45,47)(H,49,50)/b11-7-/t24-,27-,29+,33+,40-/m1/s1 |
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| InChi Key | PJZPDFUUXKKDNB-KNINVFKUSA-N |
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| Canonical SMILES | CC(C)NC1=NC(=CS1)C2=NC3=C(C=CC(=C3)OC)C(=C2)OC4CC5C(=O)NC6(CC6C=CCCCCCC(C(=O)N5C4)NC(=O)OC7CCCC7)C(=O)O |
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| Isomeric SMILES | CC(C)NC1=NC(=CS1)C2=NC3=C(C=CC(=C3)OC)C(=C2)O[C@@H]4C[C@H]5C(=O)N[C@@]6(C[C@H]6/C=C\CCCCC[C@@H](C(=O)N5C4)NC(=O)OC7CCCC7)C(=O)O |
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| PubChem CID | 9853710 |
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| Molecular Weight | 774.93 |
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Chemical and Physical Properties
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