6-(3-(Dimethylcarbamoyl)phenylsulfonyl)-4-(3-methoxyphenylamino)-8-methylquinoline-3-carboxamide

Base Information

• Chemical Name: 6-(3-(Dimethylcarbamoyl)phenylsulfonyl)-4-(3-methoxyphenylamino)-8-methylquinoline-3-carboxamide
• CAS No.: 801312-28-7
• Molecular Formula: C₂₇H₂₆N₄O₅S
• Molecular Weight: 518.593
• European Community (EC) Number: 629-882-0
• UNII: 2D6GK059SR
• DSSTox Substance ID: DTXSID30230090
• Wikidata: Q27254589
• Metabolomics Workbench ID: 153181
• ChEMBL ID: CHEMBL570015
• Mol file: 801312-28-7.mol

Synonyms:6-((3-((dimethylamino)carbonyl)phenyl)sulfonyl)-8-methyl-4-((3-methyloxyphenyl)amino)-3-quinolinecarboxamide;GSK 256066;GSK-256066;GSK256066

Chemical Property of 6-(3-(Dimethylcarbamoyl)phenylsulfonyl)-4-(3-methoxyphenylamino)-8-methylquinoline-3-carboxamide

Chemical Property:

• Boiling Point: 791.685 °C at 760 mmHg
• PKA: 15.01±0.30(Predicted)
• Flash Point: 432.596 °C
• PSA: 144.29000
• Density: 1.345 g/cm³
• LogP: 5.31580
• Solubility.: insoluble in DMSO; insoluble in EtOH; insoluble in H2O
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 518.16239112
• Heavy Atom Count: 37
• Complexity: 922

Purity/Quality:

99% ^*data from raw suppliers

6-[[3-[(Dimethylamino)carbonyl]phenyl]sulfonyl]-4-[(3-methoxyphenyl)amino]-8-methyl-3-quinolinecarboxamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC2=C(C(=CN=C12)C(=O)N)NC3=CC(=CC=C3)OC)S(=O)(=O)C4=CC=CC(=C4)C(=O)N(C)C
• Recent ClinicalTrials: A 5-way Treatment Period Trial of Single Doses of Intranasal GSK256066 in Patients With Rhinitis
• Recent EU Clinical Trials: A randomised, double blind, 2-way crossover trial of 8 days repeat dosing with intranasal GSK256066 and azelastine hydrochloride in the Vienna Challenge Chamber in subjects with seasonal allergic rhinitis (SAR)
• Uses: Quinoline derivative and a potential selective PDE4 phosphodiesterase inhibitor to treat prophylaxis or treatment of clinical conditions such as inflammatory or allergic diseases.

Technology Process of 6-(3-(Dimethylcarbamoyl)phenylsulfonyl)-4-(3-methoxyphenylamino)-8-methylquinoline-3-carboxamide

There total 1 articles about 6-(3-(Dimethylcarbamoyl)phenylsulfonyl)-4-(3-methoxyphenylamino)-8-methylquinoline-3-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:

6-({3-[(dimethylamino)carbonyl]phenyl}thiol)-8-methyl-4-{[3-(methyloxy)phenyl]amino}-3-quinolinecarboxamide (801312-98-1) → GSK256066 (801312-28-7)

Guidance literature:

With Oxone; In DMF (N,N-dimethyl-formamide); for 2.16667h;

upstream raw materials:

6-({3-[(dimethylamino)carbonyl]phenyl}thiol)-8-methyl-4-{[3-(methyloxy)phenyl]amino}-3-quinolinecarboxamide

Refernces