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Purity: ≥98%
Daclatasvir dihydrochloride (BMS790052; EBP883; BMS-790052; EBP-883; Daklinza), the dihydrochloride salt of Daclatasvir, is a novel, highly potent and selective HCV NS5A protease inhibitor that has been approved in 2014 in EU for use in combination with sofosbuvir for the treatment of hepatitis C (HCV) by causing a decrease in serum HCV RNA levels. With an EC50 of 9–50 pM, it inhibits the HCV NS5A protease.
| Targets |
HCV replicon genotype 1a (EC50 = 50 pM); HCV replicon genotype 1b (EC50 = 9 pM); HCV replicon genotype 2a (EC50 = 71 pM); HCV replicon genotype 3a (EC50 = 146 pM); HCV replicon genotype 5a (EC50 = 33 pM); HCV replicon genotype 4a (EC50 = 12 pM); NS5A33-202 (Kd = 8 nM); NS5A26-202 (Kd = 210 nM); OATP1B (IC50 = 1.5 µM); OATP1B3 (IC50 = 3.27 µM)
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| ln Vitro |
Daclatasvir (BMS-790052) shows significant inhibitory activity against every genotype examined, with EC50 values spanning from 9 pM to 146 pM. With an EC50 of 50 pM, 9 pM, 71 pM, 146 pM, 12 pM, and 33 pM, respectively, daclatasvir inhibits HCV replicon genotypes 1a, 1b, 2a, 3a, 4a, and 5a. EC50=28 pM, the infectious virus that causes JFH-1 genotype 2a to replicate in cell culture, is effectively inhibited by daclatasvir[1]. The binding constants of daclatasvir (BMS-790052) are 8 nM and 210 nM, respectively, for NS5A33-202 and NS5A26-202[2].
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| ln Vivo |
Daclatasvir (BMS-790052; 30 mg/kg; oral administration; daily; for 27 days) treatment rapidly lowers serum HCV RNA titers by about 1.5 log10 on day 3[4].
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| Enzyme Assay |
Daclatasvir is a potent inhibitor of the HCV NS5A protein, with mean EC50 values against the genotype 1a and 1b replicons of 50 and 9 pM, respectively.
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| Cell Assay |
NS5A coding region or the first 100 amino acids of NS5A from different genotypes were substituted for the corresponding sequence of the parent replicon in hybrids created with replication-competent 1a or 1b replicons to test daclatasvir's antiviral activity towards genotypes. Half-maximum effective concentrations (EC50) for daclatasvir ranged from 9 to 146 pM, indicating that it is highly potent against all HCV genotypes.
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| Animal Protocol |
NOD/SCID male mice (5 weeks of age, 18-20 g) bearing HCV RNA-transfected cells[4]
30 mg/kg Oral administration; daily; for 27 days |
| References |
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| Molecular Formula |
C40H52N8CL2O6
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|---|---|
| Molecular Weight |
738.88
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| Exact Mass |
738.39
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| Elemental Analysis |
C, 65.02; H, 6.82; N, 15.17; O, 12.99
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| CAS # |
1009119-65-6
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| Related CAS # |
Daclatasvir;1009119-64-5
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| Appearance |
Solid powder
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| 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
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| InChi Key |
BVZLLUDATICXCI-JMSCDMLISA-N
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| InChi Code |
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
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| Chemical 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
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| Synonyms |
BMS-790052; BMS 790052; EBP 883;EBP-883; EBP883; BMS790052; Daclatasvir 2HCl; Daclatasvir HCl; EBP-883; Daclatasvir dihydrochloride; Daklinza (trade name)
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1 mg/mL (1.23 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 10.0 mg/mL clear DMSO stock solution to 400 μL of PEG300 and mix evenly; then add 50 μL of Tween-80 to the above solution and mix evenly; then add 450 μL of normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 1 mg/mL (1.23 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 10.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 1 mg/mL (1.23 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.3534 mL | 6.7670 mL | 13.5340 mL | |
| 5 mM | 0.2707 mL | 1.3534 mL | 2.7068 mL | |
| 10 mM | 0.1353 mL | 0.6767 mL | 1.3534 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
| NCT Number | Recruitment | interventions | Conditions | Sponsor/Collaborators | Start Date | Phases |
| NCT03748745 | Completed | Drug: Daclatasvir dihydrochloride Drug: SH229 |
Drug Interactions | Nanjing Sanhome Pharmaceutical, Co., Ltd. |
November 19, 2018 | Phase 1 |
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