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Ng 52

CAS No.:
212779-48-1
Catalog Number:
AG00BCJP
Molecular Formula:
C16H19ClN6O
Molecular Weight:
346.8147
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$125
- +
5mg
99%
1 week
United States
$316
- +
10mg
99%
1 week
United States
$523
- +
50mg
99%
1 week
United States
$1465
- +
100mg
99%
1 week
United States
$1890
- +
Product Description
Catalog Number:
AG00BCJP
Chemical Name:
Ng 52
CAS Number:
212779-48-1
Molecular Formula:
C16H19ClN6O
Molecular Weight:
346.8147
MDL Number:
MFCD02179196
IUPAC Name:
2-[[6-(3-chloroanilino)-9-propan-2-ylpurin-2-yl]amino]ethanol
InChI:
InChI=1S/C16H19ClN6O/c1-10(2)23-9-19-13-14(20-12-5-3-4-11(17)8-12)21-16(18-6-7-24)22-15(13)23/h3-5,8-10,24H,6-7H2,1-2H3,(H2,18,20,21,22)
InChI Key:
XZEFMZCNXDQXOZ-UHFFFAOYSA-N
SMILES:
OCCNc1nc(Nc2cccc(c2)Cl)c2c(n1)n(cn2)C(C)C
Properties
Complexity:
401  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.131g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
346.819g/mol
Monoisotopic Mass:
346.131g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
87.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Literature
Title Journal
A broad activity screen in support of a chemogenomic map for kinase signalling research and drug discovery. The Biochemical journal 20130415
Design, Synthesis and Biological Evaluation of a Series of Novel Axl Kinase Inhibitors. ACS medicinal chemistry letters 20111208
Comprehensive assay of kinase catalytic activity reveals features of kinase inhibitor selectivity. Nature biotechnology 20111101
Identification of new inhibitors of protein kinase R guided by statistical modeling. Bioorganic & medicinal chemistry letters 20110701
Structural insights into the inhibited states of the Mer receptor tyrosine kinase. Journal of structural biology 20090201
A systematic interaction map of validated kinase inhibitors with Ser/Thr kinases. Proceedings of the National Academy of Sciences of the United States of America 20071218
Structural classification of protein kinases using 3D molecular interaction field analysis of their ligand binding sites: target family landscapes. Journal of medicinal chemistry 20020606
Exploiting chemical libraries, structure, and genomics in the search for kinase inhibitors. Science (New York, N.Y.) 19980724
Properties