dimethyl (2S,2'S)-1,1'-((2S,2'S)-2,2'-(4,4'-(biphenyl-4,4'-diyl)bis(1H-imidazole-4,2-diyl))bis(pyrrolidine-2,1-diyl))bis(3-methyl-1-oxobutane-2,1-diyl)dicarbamate

Base Information

• Chemical Name: dimethyl (2S,2'S)-1,1'-((2S,2'S)-2,2'-(4,4'-(biphenyl-4,4'-diyl)bis(1H-imidazole-4,2-diyl))bis(pyrrolidine-2,1-diyl))bis(3-methyl-1-oxobutane-2,1-diyl)dicarbamate
• CAS No.: 1009119-64-5
• Molecular Formula: C40H50N8O6
• Molecular Weight: 738.887
• Hs Code.: 29332900
• Mol file: 1009119-64-5.mol

Synonyms:BMS-790052;

Chemical Property of dimethyl (2S,2'S)-1,1'-((2S,2'S)-2,2'-(4,4'-(biphenyl-4,4'-diyl)bis(1H-imidazole-4,2-diyl))bis(pyrrolidine-2,1-diyl))bis(3-methyl-1-oxobutane-2,1-diyl)dicarbamate

Chemical Property:

• Boiling Point: 1071.239 °C at 760 mmHg
• PKA: 10.92±0.46(Predicted)
• Flash Point: 601.664 °C
• PSA: 174.64000
• Density: 1.25 g/cm³
• LogP: 6.87960
• Storage Temp.: Refrigerator
• Solubility.: Aqueous Acid (Slightly), Chloroform (Sparingly), DMSO (Sparingly), Methanol (Spa

Purity/Quality:

99%, ^*data from raw suppliers

Daclatasvir ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Daclatasvir, inhibits the HCV protein NS5A, and thus can be used as a drug candidate for the treatment of hepatitis C (HCV).
• Clinical Use: Inhibitor of nonstructural protein 5A (NS5A):Treatment of chronic hepatitis C infection in combination with other medication
• Drug interactions: Potentially hazardous interactions with other drugsAldesleukin: avoid concomitant use.Antipsychotics: avoid with clozapine, increased risk of agranulocytosis.

Technology Process of dimethyl (2S,2'S)-1,1'-((2S,2'S)-2,2'-(4,4'-(biphenyl-4,4'-diyl)bis(1H-imidazole-4,2-diyl))bis(pyrrolidine-2,1-diyl))bis(3-methyl-1-oxobutane-2,1-diyl)dicarbamate

There total 11 articles about dimethyl (2S,2'S)-1,1'-((2S,2'S)-2,2'-(4,4'-(biphenyl-4,4'-diyl)bis(1H-imidazole-4,2-diyl))bis(pyrrolidine-2,1-diyl))bis(3-methyl-1-oxobutane-2,1-diyl)dicarbamate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 95.0%

C56H62N8O10 → Methyl [(2S)-1-{(2S)-2-[4-(4’-{2-[(2S)-1-{(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl}-2-pyrrolidinyl]-1H-imidazol-4-yl}-4-biphenylyl)-1H-imidazol-2-yl]-1-pyrrolidinyl}-3-methyl-1-oxo-2-butanyl]carbamate (1009119-64-5)

Guidance literature:

With palladium on activated charcoal; In methanol; at 35 - 40 ℃; Inert atmosphere;

Reference yield: 94.0%

C54H58N8O8 → Methyl [(2S)-1-{(2S)-2-[4-(4’-{2-[(2S)-1-{(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl}-2-pyrrolidinyl]-1H-imidazol-4-yl}-4-biphenylyl)-1H-imidazol-2-yl]-1-pyrrolidinyl}-3-methyl-1-oxo-2-butanyl]carbamate (1009119-64-5)

Guidance literature:

With sodium methylate; In methanol; at 0 - 25 ℃;

Reference yield: 92.0%

C50H66N8O10 → Methyl [(2S)-1-{(2S)-2-[4-(4’-{2-[(2S)-1-{(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl}-2-pyrrolidinyl]-1H-imidazol-4-yl}-4-biphenylyl)-1H-imidazol-2-yl]-1-pyrrolidinyl}-3-methyl-1-oxo-2-butanyl]carbamate (1009119-64-5)

Guidance literature:

With hydrogenchloride; In ethanol; water; at 0 - 35 ℃;

upstream raw materials:

L-proline

Refernces

• 1、 -. "Preparation method for daclatasvir". Paragraph 0108; 0109; 0132; 0133; 0134; 0135; 0136-0139. . Retrieved 2017/10/22.