(R)-5-(6-((4-methylpiperazin-1-yl)methyl)-1H-benzo[d]imidazol-1-yl)-3-(1-(2-(trifluoromethyl)phenyl)ethoxy)thiophene-2-carboxamide

Base Information

• Chemical Name: (R)-5-(6-((4-methylpiperazin-1-yl)methyl)-1H-benzo[d]imidazol-1-yl)-3-(1-(2-(trifluoromethyl)phenyl)ethoxy)thiophene-2-carboxamide
• CAS No.: 929095-18-1
• Deprecated CAS: 1000873-97-1
• Molecular Formula: C₂₇H₂₈F₃N₅O₂S
• Molecular Weight: 543.613
• UNII: 8QO27TK6Q4
• ChEMBL ID: CHEMBL1908394
• DSSTox Substance ID: DTXSID60239197
• NCI Thesaurus Code: C70948
• Nikkaji Number: J2.636.663A
• Pharos Ligand ID: SP1ZJ3SCZ3BY
• Wikidata: Q27077906
• Mol file: 929095-18-1.mol

Synonyms:GSK 461364;GSK-461364;GSK461364

Chemical Property of (R)-5-(6-((4-methylpiperazin-1-yl)methyl)-1H-benzo[d]imidazol-1-yl)-3-(1-(2-(trifluoromethyl)phenyl)ethoxy)thiophene-2-carboxamide

Chemical Property:

• Appearance/Colour: White to gray solid
• Boiling Point: 658 °C at 760 mmHg
• PKA: 15.16±0.50(Predicted)
• Flash Point: 351.7 °C
• PSA: 104.86000
• Density: 1.39 g/cm³
• LogP: 5.66820
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Solubility.: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 7
• Exact Mass: 543.19158081
• Heavy Atom Count: 38
• Complexity: 814

Purity/Quality:

99% ^*data from raw suppliers

GSK461364 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CC=CC=C1C(F)(F)F)OC2=C(SC(=C2)N3C=NC4=C3C=C(C=C4)CN5CCN(CC5)C)C(=O)N
• Isomeric SMILES: C[C@H](C1=CC=CC=C1C(F)(F)F)OC2=C(SC(=C2)N3C=NC4=C3C=C(C=C4)CN5CCN(CC5)C)C(=O)N
• Recent ClinicalTrials: Study to Assess the Pharmacokinetics and Pharmacodynamics of GSK461364 in Subjects With Non-Hodgkins Lymphoma
• Uses: GSK 461364 is a dose-dependant inhibitor of proliferating cancer cell lines as well as an apoptotic agent at higher dosage levels.

Technology Process of (R)-5-(6-((4-methylpiperazin-1-yl)methyl)-1H-benzo[d]imidazol-1-yl)-3-(1-(2-(trifluoromethyl)phenyl)ethoxy)thiophene-2-carboxamide

There total 2 articles about (R)-5-(6-((4-methylpiperazin-1-yl)methyl)-1H-benzo[d]imidazol-1-yl)-3-(1-(2-(trifluoromethyl)phenyl)ethoxy)thiophene-2-carboxamide 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: 92.0%

methyl 5-{6-[(4-methyl-1-piperazinyl)methyl]-1H-benzimidazol-1-yl}-3-({(1R)-1-[2-(trifluoromethyl)phenyl]ethyl}oxy)-2-thiophenecarboxylate (929095-51-2) → GSK461364 (929095-18-1)

Guidance literature:

With ammonia; In methanol; at 80 ℃; for 40h;

Reference yield:

→ GSK461364 (929095-18-1)

Guidance literature:

upstream raw materials:

methyl 5-{6-[(4-methyl-1-piperazinyl)methyl]-1H-benzimidazol-1-yl}-3-({(1R)-1-[2-(trifluoromethyl)phenyl]ethyl}oxy)-2-thiophenecarboxylate

Refernces

• 1、 -. "PROCESSES FOR PREPARING BENZIMIDAZOLE THIOPHENES". Page/Page column 34-35. . Retrieved 2009/03/07.
• 2、 -. "BENZIMIDAZOLE THIOPHENE COMPOUNDS". Page/Page column 59. . Retrieved 2010/11/26.