Vedroprevir

Category	HCV Protease
CAS	1098189-15-1
Description	Vedroprevir is a selective hepatitis C virus (HCV) NS3 protease inhibitor. It is a pharmaceutical drug that is used in the treatment of hepatitis C virus in patients with HCV genotype 1(GT1) infection. It inhibits an important viral phosphoprotein, NS5A, which is involved in viral replication, assembly, and secretion. It retained wild-type activity against multiple classes of NS5B and NS5A inhibitor resistance mutations. It showed good oral bioavailability in all three species tested. It was developed by Gilead Sciences and was terminated in clinic phase 2 trials.

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Product Information

Synonyms	Vedroprevir;1098189-15-1;GS-9451;KGD958X2B9;CHEMBL2013174;(1R,2R)-1-((2S,4R)-1-((2S)-2-(((((1R,5S)-bicyclo[3.1.0]hexan-3-yl)oxy)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-ethylcyclopropane-1-carboxylic acid;Vedroprevir [USAN];GS9451;Vedroprevir [USAN:INN];GS 9451;UNII-KGD958X2B9;VEDROPREVIR [INN];Vedroprevir (USAN/INN);VEDROPREVIR [WHO-DD];SCHEMBL10082460;SCHEMBL16241357;Cyclopropanecarboxylic acid, N-[[(1a,3b,5a)-bicyclo[3.1.0]hex-3-yloxy]carbonyl]-3-methyl-L-valyl-(4R)-4-[[8-chloro-2-[2-[(1-methylethyl)amino]-4-thiazolyl]-7-[2-(4-morpholinyl)ethoxy]-4-quinolinyl]oxy]-L-prolyl-1-amino-2-ethyl-, (1R,2R)-;BDBM50379653;AKOS040754345;DB12037;1310824-24-8;NS00073462;D10408;Q27282236;(1R,2R)-1-((2S,4R)-1-((2S)-2-(((((1R,5S)-Bicyclo[3.1.0]hexan-3-yl)oxy)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-ethylcyclopropane-1-carboxylic;(1R,2R)-1-[[(2S,4R)-1-[(2S)-2-[[(1R,5S)-3-bicyclo[3.1.0]hexanyl]oxycarbonylamino]-3,3-dimethylbutanoyl]-4-[8-chloro-7-(2-morpholin-4-ylethoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropane-1-carboxylic acid;(1R,2R)-1-[[(2S,4R)-1-[(2S)-2-[[(1S,5R)-3-bicyclo[3.1.0]hexanyl]oxycarbonylamino]-3,3-dimethyl-butanoyl]-4-[[8-chloro-2-[2-(isopropylamino)thiazol-4-yl]-7-(2-morpholinoethoxy)-4-quinolyl]oxy]pyrrolidine-2-carbonyl]amino]-2-ethyl-cyclopropanecarboxylic acid;(1R,2R)-1-[[(2S,4R)-1-[(2S)-2-[[(1S,5R)-3-bicyclo[3.1.0]hexanyl]oxycarbonylamino]-3,3-dimethylbutanoyl]-4-[8-chloro-7-(2-morpholin-4-ylethoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropane-1-carboxylic acid;N-(((1R,3R,5S)-BICYCLO(3.1.0)HEX-3-YLOXY)CARBONYL(-3-METHYL-L-VALYL-(4R)-4-((8-CHLORO-2-(2-((1-METHYLETHYL)AMINO)THIAZOL-4-YL(-7-(2-(MORPHOLIN-4-YL)ETHOXY)QUINOLIN-4-YL)OXY)-L-PROLYL-(1R,2R)-1-AMINO-2-ETHYLCYCLOPROPANECARBOXYLIC ACID;
IUPAC Name	(1R,2R)-1-[[(2S,4R)-1-[(2S)-2-[[(1R,5S)-3-bicyclo[3.1.0]hexanyl]oxycarbonylamino]-3,3-dimethylbutanoyl]-4-[8-chloro-7-(2-morpholin-4-ylethoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropane-1-carboxylic acid
Molecular Weight	910.52
Molecular Formula	C45H60ClN7O9S
Canonical 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
InChI	InChI=1S/C45H60ClN7O9S/c1-7-27-21-45(27,41(56)57)51-39(54)33-19-29(22-53(33)40(55)38(44(4,5)6)50-43(58)62-28-17-25-16-26(25)18-28)61-35-20-31(32-23-63-42(49-32)47-24(2)3)48-37-30(35)8-9-34(36(37)46)60-15-12-52-10-13-59-14-11-52/h8-9,20,23-29,33,38H,7,10-19,21-22H2,1-6H3,(H,47,49)(H,50,58)(H,51,54)(H,56,57)/t25-,26+,27-,28?,29-,33+,38-,45-/m1/s1
InChIKey	OTXAMWFYPMNDME-OPUYQWCOSA-N
Purity	>98%
Density	1.38±0.1 g/cm3 \| Condition: Temp: 20 °C Press: 760 Torr
Solubility	10 mM in DMSO
Appearance	Solid powder
Application	Vedroprevir is a pharmaceutical drug that is used in the treatment of hepatitis C virus in patients with HCV genotype 1(GT1) infection.
Shelf Life	2 month in rt, long time
Storage	Please store the product under the recommended conditions in the Certificate of Analysis.