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Home Amines 439575-02-7
439575-02-7,MFCD18782598
Catalog No.:AA003AGR

439575-02-7 | N-(5-((5-(4-Acetylpiperazine-1-carbonyl)-4-methoxy-2-methylphenyl)thio)thiazol-2-yl)-4-(((3,3-dimethylbutan-2-yl)amino)methyl)benzamide

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5mg
≥98%
in stock  
$332.00   $233.00
- +
10mg
≥98%
in stock  
$481.00   $337.00
- +
25mg
≥98%
in stock  
$1,011.00   $708.00
- +
50mg
≥98%
in stock  
$1,949.00   $1,364.00
- +
  • Technical Information
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA003AGR
Chemical Name:
N-(5-((5-(4-Acetylpiperazine-1-carbonyl)-4-methoxy-2-methylphenyl)thio)thiazol-2-yl)-4-(((3,3-dimethylbutan-2-yl)amino)methyl)benzamide
CAS Number:
439575-02-7
Molecular Formula:
C32H41N5O4S2
Molecular Weight:
623.8290
MDL Number:
MFCD18782598
SMILES:
COc1cc(C)c(cc1C(=O)N1CCN(CC1)C(=O)C)Sc1cnc(s1)NC(=O)c1ccc(cc1)CNC(C(C)(C)C)C
Properties
Computed Properties
 
Complexity:
949  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
43  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
10  
Undefined Atom Stereocenter Count:
1  
XLogP3:
5.1  

Literature

Title: Identification of potent Yes1 kinase inhibitors using a library screening approach.

Journal: Bioorganic & medicinal chemistry letters 20130801

Title: Discovery and SAR of 2-amino-5-(thioaryl)thiazoles as potent and selective Itk inhibitors.

Journal: Bioorganic & medicinal chemistry letters 20060715

Title: Features of selective kinase inhibitors.

Journal: Chemistry & biology 20050601

Title: Lin TA, et al. Selective Itk inhibitors block T-cell activation and murine lung inflammation. Biochemistry.?2004 Aug 31;43(34):11056-62.

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Tags:439575-02-7 Molecular Formula|439575-02-7 MDL|439575-02-7 SMILES|439575-02-7 N-(5-((5-(4-Acetylpiperazine-1-carbonyl)-4-methoxy-2-methylphenyl)thio)thiazol-2-yl)-4-(((3,3-dimethylbutan-2-yl)amino)methyl)benzamide