1098189-15-1
Chemical Structure
Vedroprevir
Synonym(s): GS-9451
- CAS No.: 1098189-15-1
- Formula:C45H60ClN7O9S
- Molecular Weight:910.52
IUPAC Name: (1R,2R)-1-((2S,4R)-1-((S)-2-((((1R,3r,5S)-bicyclo[3.1.0]hexan-3-yloxy)carbonyl)amino)-3,3-dimethylbutanoyl)-4-((8-chloro-2-(2-(isopropylamino)thiazol-4-yl)-7-(2-morpholinoethoxy)quinolin-4-yl)oxy)pyrrolidine-2-carboxamido)-2-ethylcyclopropanecarboxylic ac
InChIKey: OTXAMWFYPMNDME-FQQWJMKMSA-N
SMILES: O=C([C@H]1N(C[C@@H](C1)OC2=CC(C3=CSC(NC(C)C)=N3)=NC4=C2C=CC(OCCN5CCOCC5)=C4Cl)C([C@H](C(C)(C)C)NC(O[C@H]6C[C@]7([H])[C@](C7)([H])C6)=O)=O)N[C@]8([C@@H](C8)CC)C(O)=O
Biological Activity: Vedroprevir (GS-9451) is an inhibitor for HCV NS3/4A protease with an IC50 of 3.2 nM. Vedroprevir is also an inhibitor for breast cancer resistant protein (BCRP) with an IC50 of 1.4 μM. Vedroprevir inhibits P-gp, MRP1 and MRP2 with IC50 of 34, 14.9 and 12 μM, respectively. Vedroprevir exhibits good pharmacokinetic characteristics in rats and dogs[1].
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Vedroprevir | Vedroprevir (GS-9451) is an inhibitor for HCV NS3/4A protease with an IC50 of 3.2 nM. Vedroprevir is also an inhibitor for breast cancer resistant protein (BCRP) with an IC50 of 1.4 μM. Vedroprevir inhibits P-gp, MRP1 and MRP2 with IC50 of 34, 14.9 and 12 μM, respectively. Vedroprevir exhibits good pharmacokinetic characteristics in rats and dogs. | |||||||||||||||||||||
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