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Samatasvir - 99%, high purity , Nonstructural protein 5A inhibitor, CAS No.1312547-19-5, Nonstructural protein 5A inhibitor

COA

Grade & Purity:

Moligand™

≥99%

Cas Number: 1312547-19-5
Molecular Weight: 885.06
PubChem CID: 58310140

In stock

Item Number

S648015

Grouped product items
SKU	Size	Availability	Price
S648015-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$26.90
S648015-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$110.90
S648015-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$182.90
S648015-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$379.90
S648015-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$629.90

View related series

Amino Acid/Protein Metabolism (1836) Anti-infection (2803) HCV (160) HCV Protease (26) Metabolic Enzyme/Protease (4860) Virus (1811)

Basic Description

Synonyms	Samatasvir \| HY-16784 \| SAMATASVIR [INN] \| Carbamic acid, N-((1R)-2-((2S)-2-(5-(4-(6-(2-((2S)-1-((2S)-2-((methoxycarbonyl)amino)-3-methyl-1-oxobutyl)-2-pyrrolidinyl)-1H-benzimidazol-6-yl)thieno(3,2-b)thien-3-yl)phenyl)-1H-imidazol-2-yl)-1-pyrrolidinyl)-2-
Specifications & Purity	Moligand™, ≥99%
Biochemical and Physiological Mechanisms	Samatasvir (IDX71) is a potent, orally active NS5A inhibitor of HCV replication. Samatasvir is effective and selective against infectious HCV and replicons, with EC 50 s falling within a tight range of 2 to 24 pM in genotype 1 through 5 replicons.
Storage Temp	Protected from light,Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Grade	Moligand™
Action Type	INHIBITOR
Mechanism of action	Nonstructural protein 5A inhibitor
Product Description	Samatasvir (IDX71) is a potent, orally active NS5A inhibitor of HCV replication. Samatasvir is effective and selective against infectious HCV and replicons, with EC 50 s falling within a tight range of 2 to 24 pM in genotype 1 through 5 replicons. In Vitro Samatasvir (IDX719) retains full activity in the presence of HIV and hepatitis B virus (HBV) antivirals and is not cross-resistant with HCV protease, nucleotide, and nonnucleoside polymerase inhibitor classes. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Form:Solid

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Amino acids, peptides, and analogues
      - Level5 Amino acids and derivatives
        Level6 Alpha amino acids and derivatives
        Level7 Valine and derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Amino acids, peptides, and analogues
Intermediate Tree Nodes	Amino acids and derivatives - Alpha amino acids and derivatives
Direct Parent	Valine and derivatives
Alternative Parents	Alpha amino acid amides Phenylimidazoles Phenylacetamides Benzimidazoles Thienothiophenes N-acylpyrrolidines Thiophenes Tertiary carboxylic acid amides Methylcarbamates Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Valine or derivatives - Alpha-amino acid amide - 5-phenylimidazole - 4-phenylimidazole - Phenylacetamide - Benzimidazole - N-acylpyrrolidine - Thienothiophene - Monocyclic benzene moiety - Benzenoid - Methylcarbamate - Azole - Imidazole - Heteroaromatic compound - Pyrrolidine - Tertiary carboxylic acid amide - Thiophene - Carbamic acid ester - Carboxamide group - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as valine and derivatives. These are compounds containing valine or a derivative thereof resulting from reaction of valine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	methyl N-[(1R)-2-[(2S)-2-[5-[4-[6-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]thieno[3,2-b]thiophen-3-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
INCHI	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
InChIKey	ATOLIHZIXHZSBA-BTSKBWHGSA-N
Smiles	CC(C)[C@@H](C(=O)N1CCC[C@H]1C2=NC3=C(N2)C=C(C=C3)C4=CSC5=C4SC=C5C6=CC=C(C=C6)C7=CN=C(N7)[C@@H]8CCCN8C(=O)[C@@H](C9=CC=CC=C9)NC(=O)OC)NC(=O)OC
Isomeric SMILES	CC(C)[C@@H](C(=O)N1CCC[C@H]1C2=NC3=C(N2)C=C(C=C3)C4=CSC5=C4SC=C5C6=CC=C(C=C6)C7=CN=C(N7)[C@@H]8CCCN8C(=O)[C@@H](C9=CC=CC=C9)NC(=O)OC)NC(=O)OC
PubChem CID	58310140
Molecular Weight	885.06

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

9 results found

Lot Number	Certificate Type	Date	Item
F2524745	Certificate of Analysis	Nov 14, 2024	S648015
F2524709	Certificate of Analysis	Nov 14, 2024	S648015
F2524710	Certificate of Analysis	Nov 14, 2024	S648015
F2524741	Certificate of Analysis	Nov 14, 2024	S648015
F2524743	Certificate of Analysis	Nov 14, 2024	S648015
F2524748	Certificate of Analysis	Nov 14, 2024	S648015
F2524751	Certificate of Analysis	Nov 14, 2024	S648015
F2524708	Certificate of Analysis	Nov 14, 2024	S648015
F2524711	Certificate of Analysis	Nov 14, 2024	S648015

Chemical and Physical Properties

Solubility	DMSO : 50 mg/mL (56.49 mM; Need ultrasonic)
Sensitivity	Light sensitive
Molecular Weight	885.100 g/mol
XLogP3	7.600
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	13
Exact Mass	884.314 Da
Monoisotopic Mass	884.314 Da
Topological Polar Surface Area	231.000 Å²
Heavy Atom Count	63
Formal Charge	0
Complexity	1620.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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