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| SKU | Size | Availability |
Price | Qty |
|---|---|---|---|---|
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D413219-250mg
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250mg |
2
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$344.90
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D413219-1g
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1g |
1
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$1,030.90
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D413219-5g
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5g |
1
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$1,717.90
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HCV Protease Inhibitors
| 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). |
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 |
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| ALogP | 5.812 |
|---|---|
| HBD Count | 4 |
| Rotatable Bond | 13 |
| 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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Apr 03, 2025 | D413219 | |
| Certificate of Analysis | Apr 03, 2025 | D413219 | |
| Certificate of Analysis | Apr 03, 2025 | D413219 |
| 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 |