Cot inhibitor-1

Base Information

• Chemical Name: Cot inhibitor-1
• CAS No.: 915365-57-0
• Molecular Formula: C₂₇H₂₇Cl₂FN₈
• Molecular Weight: 553.469
• Hs Code.: 2924297099
• ChEMBL ID: CHEMBL496594
• DSSTox Substance ID: DTXSID70468951
• Wikidata: Q72444403
• Mol file: 915365-57-0.mol

Synonyms:Cot inhibitor-1;915365-57-0;6-[[1-[2-(azepan-1-yl)ethyl]triazol-4-yl]methylamino]-8-chloro-4-(3-chloro-4-fluoroanilino)quinoline-3-carbonitrile;8-chloro-4-[(3-chloro-4-fluorophenyl)amino]-6-[[[1-[2-(hexahydro-1H-azepin-1-yl)ethyl]-1H-1,2,3-triazol-4-yl]methyl]amino]-3-Quinolinecarbonitrile;cot-inhibitor-1;CHEMBL496594;BDBM29917;DTXSID70468951;AKOS030526991;NCGC00378798-01;HY-32015;MS-30107;FT-0718386;F82170;substituted 6-aminoquinoline-3-carbonitrile, 28

Chemical Property of Cot inhibitor-1

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.692
• Boiling Point: 729.961 °C at 760 mmHg
• Flash Point: 395.267 °C
• PSA: 94.69000
• Density: 1.42 g/cm³
• LogP: 6.45948
• XLogP3: 5.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 8
• Exact Mass: 552.1719764
• Heavy Atom Count: 38
• Complexity: 792

Purity/Quality:

97% ^*data from raw suppliers

Cotinhibitor-1 >98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCCN(CC1)CCN2C=C(N=N2)CNC3=CC4=C(C(=CN=C4C(=C3)Cl)C#N)NC5=CC(=C(C=C5)F)Cl

Technology Process of Cot inhibitor-1

There total 2 articles about Cot inhibitor-1 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:

6-amino-8-chloro-4-((3-chloro-4-fluorophenyl)amino)quinoline-3-carbonitrile (915364-18-0) + C11H18N4O (915370-11-5) → 6-({[1-(2-azepan-1-ylethyl)-1H-1,2,3-triazol-4-yl]methyl}amino)-8-chloro-4-[(3-chloro-4-fluorophenyl)amino]quinoline-3-carbonitrile (915365-57-0)

Guidance literature:

With sodium tris(acetoxy)borohydride; In 1,2-dichloro-ethane; at 20 ℃; for 4h;

DOI:10.1016/j.bmcl.2009.05.009

Reference yield:

→ 6-({[1-(2-azepan-1-ylethyl)-1H-1,2,3-triazol-4-yl]methyl}amino)-8-chloro-4-[(3-chloro-4-fluorophenyl)amino]quinoline-3-carbonitrile (915365-57-0)

Guidance literature:

upstream raw materials:

6-amino-8-chloro-4-((3-chloro-4-fluorophenyl)amino)quinoline-3-carbonitrile

C₁₁H₁₈N₄O

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