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944795-06-6,MFCD18206813
Catalog No.:AA01ENT7

944795-06-6 | Lck inhibitor 2

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5mg
99%
1 week  
$289.00   $202.00
- +
10mg
99%
1 week  
$431.00   $302.00
- +
50mg
99%
1 week  
$1,130.00   $791.00
- +
100mg
99%
1 week  
$1,558.00   $1,091.00
- +
  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA01ENT7
Chemical Name:
Lck inhibitor 2
CAS Number:
944795-06-6
Molecular Formula:
C18H17N5O2
Molecular Weight:
335.3599
MDL Number:
MFCD18206813
SMILES:
Oc1ccc(c(c1)Nc1ccnc(n1)Nc1cccc(c1)C(=O)N)C
Properties
Computed Properties
 
Complexity:
449  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
4  
Rotatable Bond Count:
5  
XLogP3:
2.8  

Literature

Title: Assessment of chemical coverage of kinome space and its implications for kinase drug discovery.

Journal: Journal of medicinal chemistry 20081225

Title: N-4-Pyrimidinyl-1H-indazol-4-amine inhibitors of Lck: indazoles as phenol isosteres with improved pharmacokinetics.

Journal: Bioorganic & medicinal chemistry letters 20070801

Title: Bamborough, et al. Assessment of Chemical Coverage of Kinome Space and Its Implications for Kinase Drug Discovery. Journal of Medicinal Chemistry (2008), 51(24), 7898-7914.

Title: Bamborough, Paul, et al. N-4-Pyrimidinyl-1H-indazol-4-amine inhibitors of Lck: Indazoles as phenol isosteres with improved pharmacokinetics. Bioorganic & Medicinal Chemistry Letters (2007), 17(15), 4363-4368.

Title: Awale, Mahendra, et al. Molecular docking guided 3D-QSAR CoMFA analysis of N-4-Pyrimidinyl-1H-indazol-4-amine inhibitors of leukocyte-specific protein tyrosine kinase. Journal of Molecular Modeling (2008), 14(10), 937-947.

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