Cyclopropanecarboxamide, N,N'-((1,1'-biphenyl)-4,4'-diylbis(5,2-thiazolediyl-(2S)-2,1-pyrrolidinediyl((1R)-2-oxo-1-phenyl-2,1-ethanediyl)))bis-

Base Information

Chemical Name:Cyclopropanecarboxamide, N,N'-((1,1'-biphenyl)-4,4'-diylbis(5,2-thiazolediyl-(2S)-2,1-pyrrolidinediyl((1R)-2-oxo-1-phenyl-2,1-ethanediyl)))bis-
CAS No.:1310694-75-7
Molecular Formula:C₅₀H₄₈N₆O₄S₂
Molecular Weight:861.101
Hs Code.:
UNII:78GIB3SHQQ
Wikidata:Q27266669
ChEMBL ID:CHEMBL4468585

Cyclopropanecarboxamide, N,N'-((1,1'-biphenyl)-4,4'-diylbis(5,2-thiazolediyl-(2S)-2,1-pyrrolidinediyl((1R)-2-oxo-1-phenyl-2,1-ethanediyl)))bis-

Synonyms:DBPR110

Suppliers and Price of Cyclopropanecarboxamide, N,N'-((1,1'-biphenyl)-4,4'-diylbis(5,2-thiazolediyl-(2S)-2,1-pyrrolidinediyl((1R)-2-oxo-1-phenyl-2,1-ethanediyl)))bis-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of Cyclopropanecarboxamide, N,N'-((1,1'-biphenyl)-4,4'-diylbis(5,2-thiazolediyl-(2S)-2,1-pyrrolidinediyl((1R)-2-oxo-1-phenyl-2,1-ethanediyl)))bis-

Chemical Property:

XLogP3:7.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:13
Exact Mass:860.31784638
Heavy Atom Count:62
Complexity:1450

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1CC(N(C1)C(=O)C(C2=CC=CC=C2)NC(=O)C3CC3)C4=NC=C(S4)C5=CC=C(C=C5)C6=CC=C(C=C6)C7=CN=C(S7)C8CCCN8C(=O)C(C9=CC=CC=C9)NC(=O)C1CC1
Isomeric SMILES:C1C[C@H](N(C1)C(=O)[C@@H](C2=CC=CC=C2)NC(=O)C3CC3)C4=NC=C(S4)C5=CC=C(C=C5)C6=CC=C(C=C6)C7=CN=C(S7)[C@@H]8CCCN8C(=O)[C@@H](C9=CC=CC=C9)NC(=O)C1CC1
Recent ClinicalTrials:A Trial to Evaluate Safety, Tolerability, PK and Antiviral Activity of MB-110 in Hepatitis C Virus Infected Patients

Technology Process of Cyclopropanecarboxamide, N,N'-((1,1'-biphenyl)-4,4'-diylbis(5,2-thiazolediyl-(2S)-2,1-pyrrolidinediyl((1R)-2-oxo-1-phenyl-2,1-ethanediyl)))bis-

There total 18 articles about Cyclopropanecarboxamide, N,N'-((1,1'-biphenyl)-4,4'-diylbis(5,2-thiazolediyl-(2S)-2,1-pyrrolidinediyl((1R)-2-oxo-1-phenyl-2,1-ethanediyl)))bis- 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: 54.0%

: C₄₂H₄₀N₆O₂S₂

: 4023-34-1
cyclopropanecarboxylic acid chloride

: 1310694-75-7
N,N’-(biphenyl-4,4'-diylbis{1,3-thiazole-5,2-diyl-(2S)-pyrrolidine-2,1-diyl[(1R)-2-oxo-1-phenylethane-2,1-diyl]})dicyclopropanecarboxamide

Guidance literature:: With triethylamine; In tetrahydrofuran; at 20 ℃; for 0.166667h;

Reference yield:

: C₄₂H₄₀N₆O₂S₂

: 4023-34-1
cyclopropanecarboxylic acid chloride

: 1310694-75-7
N,N’-(biphenyl-4,4'-diylbis{1,3-thiazole-5,2-diyl-(2S)-pyrrolidine-2,1-diyl[(1R)-2-oxo-1-phenylethane-2,1-diyl]})dicyclopropanecarboxamide

: 1310695-80-7
N-[(1R)-2-{(2S)-2-[5-(4’-{2-[(2S)-1-{(2S)-2-[(cyclopropylcarbonyl)amino]-2-phenylacetyl}pyrrolidin-2-yl]-1,3-thiazol-5-yl}biphenyl-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl}-2-oxo-1-phenylethyl]cyclopropanecarboxamide

Guidance literature:: With triethylamine; In N,N-dimethyl-formamide; at 0 - 20 ℃;
DOI:10.1016/j.ejmech.2019.02.016

Reference yield:

: 1007881-98-2
y

: 1310694-75-7
N,N’-(biphenyl-4,4'-diylbis{1,3-thiazole-5,2-diyl-(2S)-pyrrolidine-2,1-diyl[(1R)-2-oxo-1-phenylethane-2,1-diyl]})dicyclopropanecarboxamide

Guidance literature:: Multi-step reaction with 7 steps

1.1: Lawessons reagent / tetrahydrofuran / 6 h / Reflux

2.1: potassium acetate / tetrakis(triphenylphosphine) palladium⁽⁰⁾ / 1,4-dioxane / 6 h / 80 °C / Inert atmosphere

3.1: potassium carbonate / (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / 1,2-dimethoxyethane / 18 h / 80 °C / Inert atmosphere

4.1: trifluoroacetic acid / dichloromethane / 2 h / 20 °C

4.2: pH 8 / Cooling

5.1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; benzotriazol-1-ol / N,N-dimethyl-formamide / 0.5 h / 20 °C

5.2: 20 °C

6.1: trifluoroacetic acid / dichloromethane / 2 h / 20 °C

6.2: pH 7 - 8 / Cooling

7.1: triethylamine / tetrahydrofuran / 0.17 h / 20 °C

With Lawessons reagent; potassium acetate; potassium carbonate; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; trifluoroacetic acid; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In tetrahydrofuran; 1,4-dioxane; 1,2-dimethoxyethane; dichloromethane; N,N-dimethyl-formamide;