Pibrentasvir

Category	Hepatitis C Virus (HCV)
CAS	1353900-92-1
Description	Pibrentasvir is an antiviral agent that inhibits HCV non-structural protein 5A (NS5A). It inhibits HCV RNA replication and viron assembly. In combination with glecaprevir, a HCV NS3/4A protease inhibitor, pibrentasvir is used to treat patients with HCV infections who experienced therapeutic failure from other NS5A inhibitors.

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Synonyms	Pibrentasvir;1353900-92-1;ABT-530;Pibrentasvir [USAN];A-1325912.0;Abt530;2WU922TK3L;1353900-92-1 (free);Dimethyl N,N'-(((2R,5R)-1-(3,5-difluoro-4-(4-(4-fluorophenyl)piperidin-1-yl)phenyl)pyrrolidine-2,5-diyl)bis((6-fluoro-1H-benzimidazole-5,2-diyl)((2S)-pyrrolidine-2,1-diyl)((2S,3R)-3-methoxy-1-oxobutane-1,2-diyl)))biscarbamate;dimethyl ((2S,2'S,3R,3'R)-((2S,2'S)-(((2R,5R)-1-(3,5-difluoro-4-(4-(4-fluorophenyl)piperidin-1-yl)phenyl)pyrrolidine-2,5-diyl)bis(6-fluoro-1H-benzo[d]imidazole-5,2-diyl))bis(pyrrolidine-2,1-diyl))bis(3-methoxy-1-oxobutane-1,2-diyl))dicarbamate;methyl N-[(2S,3R)-1-[(2S)-2-[6-[(2R,5R)-1-[3,5-difluoro-4-[4-(4-fluorophenyl)piperidin-1-yl]phenyl]-5-[6-fluoro-2-[(2S)-1-[(2S,3R)-3-methoxy-2-(methoxycarbonylamino)butanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]pyrrolidin-2-yl]-5-fluoro-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate;ABT 530;UNII-2WU922TK3L;C57H65F5N10O8;methyl N-[(2S,3R)-1-[(2S)-2-{5-[(2R,5R)-1-{3,5-difluoro-4-[4-(4-fluorophenyl)piperidin-1-yl]phenyl}-5-{6-fluoro-2-[(2S)-1-[(2S,3R)-3-methoxy-2-[(methoxycarbonyl)amino]butanoyl]pyrrolidin-2-yl]-3H-1,3-benzodiazol-5-yl}pyrrolidin-2-yl]-6-fluoro-3H-1,3-benzodiazol-2-yl}pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate;Pibrentasvir; Carbamic acid, N,N'-[[(2R,5R)-1-[3,5-difluoro-4-[4-(4-fluorophenyl)-1-piperidinyl]phenyl]-2,5-pyrrolidinediyl]bis[(6-fluoro-1H-benzimidazole-5,2-diyl)-(2S)-2,1-pyrrolidinediyl[(1S)-1-[(1R)-1-methoxyethyl]-2-oxo-2,1-ethanediyl]]]bis-, C,C'-di;ABT-530;Pibrentasvir;PIBRENTASVIR [MI];Pibrentasvir(ABT-530);PIBRENTASVIR [INN];PIBRENTASVIR [JAN];Pibrentasvir (ABT-530);Pibrentasvir(ABT-530)?;PIBRENTASVIR [WHO-DD];Pibrentasvir (JAN/USAN/INN);SCHEMBL2756579;CHEMBL3545123;SCHEMBL17639956;GTPL11268;EX-A865;DTXSID601027946;PIBRENTASVIR [ORANGE BOOK];BDBM50453100;MAVYRET COMPONENT PIBRENTASVIR;s9641;AKOS032946318;CS-8135;DB13878;AC-33418;BS-15250;DA-76867;HY-101662;NS00133775;D10816;EN300-24480792;J-690144;Q47495788;Carbamic acid, N,N'-(((2R,5R)-1-(3,5-difluoro-4-(4-(4-fluorophenyl)-1-piperidinyl)phenyl)-2,5-pyrrolidinediyl)bis((6-fluoro-1H-benzimidazole-5,2-diyl)-(2S)-2,1-pyrrolidinediyl((1S)-1-((1R)-1-methoxyethyl)-2-oxo-2,1-ethanediyl)))bis-, C,C'-dimethyl ester;Dimethyl ((2S,2'S,3R,3'R)-((2S,2'S)-(((2R,5R)-1-(3,5-difluoro-4-(4-(4-fluorophenyl)piperidin-1-yl)phenyl)pyrrolidine-2,5-diyl)bis(5-fluoro-1H-benzo[d]imidazole-6,2-diyl))bis(pyrrolidine-2,1-diyl))bis(3-methoxy-1-oxobutane-1,2-diyl))dicarbamate;Methyl ((2S,3R)-1-((2S)-2-(5-((2R,5R)-1-(3,5-difluoro-4-(4-(4-fluorophenyl)piperidin-1-yl)phenyl)-5-(6-fluoro-2-((2S)-1-(N-(methoxycarbonyl)-O-methyl-L-threonyl)pyrrolidin-2-yl)-1H-benzimidazol-5-yl)pyrrolidin-2-yl)-6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl)-3-methoxy-1-oxobutan-2-yl)carbamate;methyl N-[(2S,3R)-1-[(2S)-2-{6-[(2R,5R)-1-{3,5-difluoro-4-[4-(4-fluorophenyl)piperidin-1-yl]phenyl}-5-{5-fluoro-2-[(2S)-1-[(2S,3R)-3-methoxy-2-[(methoxycarbonyl)amino]butanoyl]pyrrolidin-2-yl]-1H-1,3-benzodiazol-6-yl}pyrrolidin-2-yl]-5-fluoro-1H-1,3-benzodiazol-2-yl}pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate;
IUPAC Name	methyl N-[(2S,3R)-1-[(2S)-2-[6-[(2R,5R)-1-[3,5-difluoro-4-[4-(4-fluorophenyl)piperidin-1-yl]phenyl]-5-[6-fluoro-2-[(2S)-1-[(2S,3R)-3-methoxy-2-(methoxycarbonylamino)butanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]pyrrolidin-2-yl]-5-fluoro-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate
Molecular Weight	1113.18
Molecular Formula	C57H65F5N10O8
Canonical SMILES	FC(C=C(N=C([C@H](CCC1)N1C([C@H]([C@@H](C)OC)NC(OC)=O)=O)N2)C2=C3)=C3[C@@H]4N(C5=CC(F)=C(N6CCC(C7=CC=C(F)C=C7)CC6)C(F)=C5)[C@@H](C(C=C(NC([C@H](CCC8)N8C([C@H]([C@@H](C)OC)NC(OC)=O)=O)=N9)C9=C%10)=C%10F)CC4
InChI	InChI=1S/C57H65F5N10O8/c1-29(77-3)49(67-56(75)79-5)54(73)70-19-7-9-47(70)52-63-41-25-35(37(59)27-43(41)65-52)45-15-16-46(72(45)34-23-39(61)51(40(62)24-34)69-21-17-32(18-22-69)31-11-13-33(58)14-12-31)36-26-42-44(28-38(36)60)66-53(64-42)48-10-8-20-71(48)55(74)50(30(2)78-4)68-57(76)80-6/h11-14,23-30,32,45-50H,7-10,15-22H2,1-6H3,(H,63,65)(H,64,66)(H,67,75)(H,68,76)/t29-,30-,45-,46-,47+,48+,49+,50+/m1/s1
InChIKey	VJYSBPDEJWLKKJ-NLIMODCCSA-N
Purity	≥98%
Appearance	Solid