Samatasvir | CAS#1312547-19-5 | anti-HCV

MedKoo Cat#: 461743 | Name: Samatasvir

Description:

WARNING: This product is for research use only, not for human or veterinary use.

Samatasvir is a pan-genotypic inhibitor of the hepatitis C (HCV) non-structural protein 5A (NS5A).

Chemical Structure

Samatasvir

CAS#1312547-19-5

Theoretical Analysis

MedKoo Cat#: 461743

Name: Samatasvir

CAS#: 1312547-19-5

Chemical Formula: C47H48N8O6S2

Exact Mass: 884.3138

Molecular Weight: 885.07

Elemental Analysis: C, 63.78; H, 5.47; N, 12.66; O, 10.85; S, 7.24

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.

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Related CAS #

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Synonym

Samatasvir; IDX 18719; IDX-18719; IDX18719; IDX 719; IDX-719; IDX719;

IUPAC/Chemical Name

methyl ((R)-2-((S)-2-(5-(4-(6-(2-((S)-1-((methoxycarbonyl)-L-valyl)pyrrolidin-2-yl)-1H-benzo[d]imidazol-6-yl)thieno[3,2-b]thiophen-3-yl)phenyl)-1H-imidazol-2-yl)pyrrolidin-1-yl)-2-oxo-1-phenylethyl)carbamate

InChi Key

ATOLIHZIXHZSBA-BTSKBWHGSA-N

InChi Code

InChI=1S/C47H48N8O6S2/c1-26(2)38(52-46(58)60-3)44(56)55-21-9-13-37(55)43-49-33-19-18-30(22-34(33)50-43)32-25-63-40-31(24-62-41(32)40)27-14-16-28(17-15-27)35-23-48-42(51-35)36-12-8-20-54(36)45(57)39(53-47(59)61-4)29-10-6-5-7-11-29/h5-7,10-11,14-19,22-26,36-39H,8-9,12-13,20-21H2,1-4H3,(H,48,51)(H,49,50)(H,52,58)(H,53,59)/t36-,37-,38-,39+/m0/s1

SMILES Code

O=C(OC)N[C@H](C1=CC=CC=C1)C(N2[C@H](C3=NC=C(C4=CC=C(C5=CSC6=C5SC=C6C7=CC=C8N=C([C@H]9N(C([C@@H](NC(OC)=O)C(C)C)=O)CCC9)NC8=C7)C=C4)N3)CCC2)=O

Appearance

Solid powder

Purity

>98% (or refer to the Certificate of Analysis)

Shipping Condition

Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition

Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility

Soluble in DMSO

Shelf Life

>3 years if stored properly

Drug Formulation

This drug may be formulated in DMSO

Stock Solution Storage

0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code

2934.99.03.00

More Info

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 885.07 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Concentration / Solvent Volume / Mass	1 mg	5 mg	10 mg
1 mM	1.15 mL	5.76 mL	11.51 mL
5 mM	0.23 mL	1.15 mL	2.3 mL
10 mM	0.12 mL	0.58 mL	1.15 mL
50 mM	0.02 mL	0.12 mL	0.23 mL

1: Vince B, Hill JM, Lawitz EJ, O'Riordan W, Webster LR, Gruener DM, Mofsen RS, Murillo A, Donovan E, Chen J, McCarville JF, Sullivan-Bólyai JZ, Mayers D, Zhou XJ. A randomized, double-blind, multiple-dose study of the pan-genotypic NS5A inhibitor samatasvir in patients infected with hepatitis C virus genotype 1, 2, 3 or 4. J Hepatol. 2014 May;60(5):920-7. doi: 10.1016/j.jhep.2014.01.003. Epub 2014 Jan 14. PubMed PMID: 24434503. 2: Bilello JP, Lallos LB, McCarville JF, La Colla M, Serra I, Chapron C, Gillum JM, Pierra C, Standring DN, Seifer M. In vitro activity and resistance profile of samatasvir, a novel NS5A replication inhibitor of hepatitis C virus. Antimicrob Agents Chemother. 2014 Aug;58(8):4431-42. doi: 10.1128/AAC.02777-13. Epub 2014 May 27. PubMed PMID: 24867983; PubMed Central PMCID: PMC4136001.