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Daclatasvir Dihydrochloride - 99%, high purity , Nonstructural protein 5A inhibitor, CAS No.1009119-65-6, Nonstructural protein 5A inhibitor

    Grade & Purity:
  • ≥99%
In stock
Item Number
D413219
Grouped product items
SKU Size
Availability
Price Qty
D413219-250mg
250mg
2
$344.90
D413219-1g
1g
1
$1,030.90
D413219-5g
5g
1
$1,717.90

HCV Protease Inhibitors

Basic Description

Synonyms CHEBI:83800 | Daclatasvir Digydrochloride | s5062 | Daklinza | Dimethyl N,N'-((1,1'-biphenyl)-4,4'-diylbis(1H-imidazole-5,2-diyl-((2S)-pyrrolidine-2,1-diyl)((1S)-3-methyl-1-oxobutane-1,2-diyl)))dicarbamate dihydrochloride | MFCD25541736 | CCG-270504 | Dak
Specifications & Purity ≥99%
Biochemical and Physiological Mechanisms Daclatasvir is an orally available antiviral agent that inhibits the NS5A region of the hepatitis C virus (HCV) used for the treatment of chronic HCV genotype 1 and 3 infection.
Storage Temp Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Action Type INHIBITOR
Mechanism of action Nonstructural protein 5A inhibitor
Product Description

Information

Daclatasvir Dihydrochloride Daclatasvir is an orally available antiviral agent that inhibits the NS5A region of the hepatitis C virus (HCV) used for the treatment of chronic HCV genotype 1 and 3 infection.


Targets

NS5A


In vitro

Daclatasvir exhibited potent inhibition in all of the wild-type replicons and hybrid replicons representing the range of genotypes and subtypes. daclatasvir induces an alteration in the subcellular localization of NS5A, which inhibits the formation and activation of HCV RCs. Daclatasvir was found to have a high potency across all HCV genotypes with half-maximum effective concentrations (EC50) ranging from 9 to 146 pM. While it is pangenotypic, it has a low barrier to resistance against the subtype of Genotype 1a.


In vivo

Daclatasvir has good bioavailability in rats, dogs and cynomolgus monkey (F%= 50, 108 and 38 respectively).

Taxonomic Classification

Taxonomy Tree

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 Biphenyls and derivatives  Alpha amino acid amides  Phenylimidazoles  N-acylpyrrolidines  Tertiary carboxylic acid amides  Heteroaromatic compounds  Propargyl-type 1,3-dipolar organic compounds  Carboximidic acids and derivatives  Azacyclic compounds  Organopnictogen compounds  Organonitrogen compounds  Organic oxides  Hydrochlorides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular Framework Aromatic heteromonocyclic compounds
Substituents Valine or derivatives - Alpha-amino acid amide - Biphenyl - 5-phenylimidazole - 4-phenylimidazole - N-acylpyrrolidine - Monocyclic benzene moiety - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Pyrrolidine - Tertiary carboxylic acid amide - Carboxamide group - Organic 1,3-dipolar compound - Organoheterocyclic compound - Azacycle - Carboximidic acid derivative - Propargyl-type 1,3-dipolar organic compound - Hydrochloride - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic 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 hydrochloride

Product Properties

ALogP 5.812
HBD Count 4
Rotatable Bond 13

Names and Identifiers

IUPAC Name methyl N-[(2S)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;dihydrochloride
INCHI InChI=1S/C40H50N8O6.2ClH/c1-23(2)33(45-39(51)53-5)37(49)47-19-7-9-31(47)35-41-21-29(43-35)27-15-11-25(12-16-27)26-13-17-28(18-14-26)30-22-42-36(44-30)32-10-8-20-48(32)38(50)34(24(3)4)46-40(52)54-6;;/h11-18,21-24,31-34H,7-10,19-20H2,1-6H3,(H,41,43)(H,42,44)(H,45,51)(H,46,52);2*1H/t31-,32-,33-,34-;;/m0../s1
InChIKey BVZLLUDATICXCI-JMSCDMLISA-N
Smiles CC(C)C(C(=O)N1CCCC1C2=NC=C(N2)C3=CC=C(C=C3)C4=CC=C(C=C4)C5=CN=C(N5)C6CCCN6C(=O)C(C(C)C)NC(=O)OC)NC(=O)OC.Cl.Cl
Isomeric SMILES CC(C)[C@@H](C(=O)N1CCC[C@H]1C2=NC=C(N2)C3=CC=C(C=C3)C4=CC=C(C=C4)C5=CN=C(N5)[C@@H]6CCCN6C(=O)[C@H](C(C)C)NC(=O)OC)NC(=O)OC.Cl.Cl
PubChem CID 25154713
Molecular Weight 811.8

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.

3 results found

Lot Number Certificate Type Date Item
G2213297 Certificate of Analysis Apr 03, 2025 D413219
G2213299 Certificate of Analysis Apr 03, 2025 D413219
G2213298 Certificate of Analysis Apr 03, 2025 D413219

Chemical and Physical Properties

Solubility Solubility (25°C) In vitro DMSO: 100 mg/mL (123.18 mM); Water: 100 mg/mL (123.18 mM); Ethanol: 100 mg/mL (123.18 mM);
Sensitivity Moisture sensitive
DMSO(mg / mL) Max Solubility 100
DMSO(mM) Max Solubility 123.18305
Water(mg / mL) Max Solubility 100
Water(mM) Max Solubility 123.18305
Molecular Weight 811.800 g/mol
XLogP3
Hydrogen Bond Donor Count 6
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 13
Exact Mass 810.339 Da
Monoisotopic Mass 810.339 Da
Topological Polar Surface Area 175.000 Ų
Heavy Atom Count 56
Formal Charge 0
Complexity 1190.000
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 3

Solution Calculators

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