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ChemicalBook--->CAS DataBase List--->1377049-84-7

1377049-84-7

1377049-84-7 Structure

1377049-84-7 Structure
IdentificationBack Directory
[Name]

Velpatasvir
[CAS]

1377049-84-7
[Synonyms]

GS 5816
CS-2204
Vipatavir
Vipataivir
Velpatasvir
MFCD28411371
GS 5816;GS-5816
Velpatasvir API
Velpatasvir(PVP)
Unifiram (DM-232)
Product:Velpatasvir
GS-5816(Velpatasvir)
velpatasvir(GS-5816)
TIANFU CHEM Velpatasvir
Velpatasvir (10mM in DMSO)
Velpatasvir intermediate A13
Velpatasvir inteVelpatasvir intermediate A13rmediate A13
Carbamic acid, N-[(1R)-2-[(2S,4S)-2-[5-[1,11-dihydro-2-[(2S,5S)-1-[(2S)-2-[(methoxycarbonyl)amino]-3-methyl-1-oxobutyl]-5-methyl-2-pyrrolidinyl][2]benzopyrano[4',3':6,7]naphth[1,2-d]imidazol-9-yl]-1H-imidazol-2-yl]-4-(methoxymethyl)-1-pyrrolidinyl]-2-oxo-
Velpatasvir (Carbamic acid, N-[(1R)-2-[(2S,4S)-2-[4-[1,11-dihydro-2-[(2S,5S)-1-[(2S)-2-[(methoxycarbonyl)amino]-3-methyl-1-oxobutyl]-5-methyl-2-pyrrolidinyl][2]benzopyrano[4',3':6,7]naphth[1,2-d]imidazol-9-yl]-1H- imidazol-2-yl]-4-(methoxymethyl)-1-pyrrol
Methyl [(2S)-1-[(2S,5S)-2-[9-[2-[(2S,4S)-1-[(2R)-2-[(methoxycarbonyl)amino]-2-phenylacetyl]-4-(methoxymethyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]-1,11-dihydroisochromeno[4',3':6,7]naphtho[1,2-d]imidazol-2-yl]-5-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-y
N-(1R)-2-(2S,4S)-2-5-1,11-Dihydro-2-(2S,5S)-1-(2S)-2-(methoxycarbonyl)amino-3-methyl-1-oxo-butyl-5-methylpyrrolidin-2-yl2benzopyrano4',3':6,7naphtho1,2-dimidazol-9-yl-1H-imidazol-2-yl-4-(methoxymethyl)-pyrrolidin-1-yl-2-oxo-1-phenylethylcarbamic acid methyl ester
methyl ((2s)-1-((2s,5s)-2-(9-(2-((2s,4s)-1-((2r)-2-((methoxycarbonyl)amino)-2-phenylacetyl)-4-(methoxymethyl)pyrrolidin-2-yl)-1h-imidazol-5-yl)-1,11-dihydroisochromeno(4',3':6,7)naphtho(1,2-d)imidazol-2-yl)-5-methylpyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)carbamate
Carbamic acid, N-[(1R)-2-[(2S,4S)-2-[5-[1,11-dihydro-2-[(2S,5S)-1-[(2S)-2-[(methoxycarbonyl)amino]-3-methyl-1-oxobutyl]-5-methyl-2-pyrrolidinyl][2]benzopyrano[4',3':6,7]naphth[1,2-d]imidazol-9-yl]-1H-imidazol-2-yl]-4-(methoxymethyl)-1-pyrrolidinyl]-2-oxo-1-phenylethyl]-, methyl ester
[EINECS(EC#)]

1592732-453-0
[Molecular Formula]

C49H54N8O8
[MDL Number]

MFCD28411371
[MOL File]

1377049-84-7.mol
[Molecular Weight]

883
Chemical PropertiesBack Directory
[Melting point ]

>170oC (dec.)
[density ]

1.314±0.06 g/cm3(Predicted)
[storage temp. ]

-20°C
[solubility ]

Soluble in DMSO (>25 mg/ml)
[form ]

solid
[pka]

10.75±0.46(Predicted)
[color ]

Pale yellow
[Stability:]

Stable for 1 year from date of purchase as supplied. Solutions in DMSO may be stored at -20°C for up to 3 months.
Hazard InformationBack Directory
[Description]

Velpatasvir (1377049-84-7) is an extremely potent pan-genotypic hepatitis C virus (HCV) NS5A inhibitor.1 It is a component of Epclusa? and Vosevi?, two clinically useful medications with 98% and 97%, respectively, cure rates for HCV.? It displayed EC50’s for GTs 1-4, 6a ranging from 6-16 pM, GT5a at 75 pM, and GT6e at 130 pM. Velpatasvir also displayed an excellent barrier to viral resistance. It has been shown in silico, that velpatasvir binds to the SARS-CoV-2 spike protein and may be a potential therapeutic.2
[Uses]

Velpatasvir is a NS5A inhibitor in patients with hepatitis C (HCV) infection.
[Definition]

ChEBI: A complex organic heteropentacyclic compound that is a hepatitis C virus nonstructural protein 5A inhibitor used in combination with sofosbuvir (under the brand name Epclusa) for treatment of patients with chronic hepatitis C of all six major genotypes.
[Brand name]

Epclusa, Sofosvel, Velpanat (all in combination with sofosbuvir)
[References]

Link et al. (2019), Discovery of velpatasvir (GS-5816): A potent pan-genotypic HCV NS5A inhibitor in the single-tablet regimens Vosevi? and Epclusa?; Bioorg. Med. Chem. Lett., 29 2415 Kadioglu et al. (2020), Identification of novel compounds against three targets of SARS CoV-2 coronavirus by combined virtual screening and supervised machine learning; Comput. Biol. Med. 133 104359
Spectrum DetailBack Directory
[Spectrum Detail]

Velpatasvir(1377049-84-7)1HNMR
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