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CVT-313

CAS No.:
199986-75-9
Catalog Number:
AG002CHT
Molecular Formula:
C20H28N6O3
Molecular Weight:
400.4747
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$126
- +
5mg
99%
1 week
United States
$204
- +
10mg
99%
1 week
United States
$276
- +
50mg
99%
1 week
United States
$826
- +
Product Description
Catalog Number:
AG002CHT
Chemical Name:
CVT-313
CAS Number:
199986-75-9
Molecular Formula:
C20H28N6O3
Molecular Weight:
400.4747
MDL Number:
MFCD06411412
IUPAC Name:
2-[2-hydroxyethyl-[6-[(4-methoxyphenyl)methylamino]-9-propan-2-ylpurin-2-yl]amino]ethanol
InChI:
InChI=1S/C20H28N6O3/c1-14(2)26-13-22-17-18(21-12-15-4-6-16(29-3)7-5-15)23-20(24-19(17)26)25(8-10-27)9-11-28/h4-7,13-14,27-28H,8-12H2,1-3H3,(H,21,23,24)
InChI Key:
NQVIIUBWMBHLOZ-UHFFFAOYSA-N
SMILES:
OCCN(c1nc(NCc2ccc(cc2)OC)c2c(n1)n(cn2)C(C)C)CCO
UNII:
T5490K8I7S
Properties
Complexity:
471  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
400.222g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
400.483g/mol
Monoisotopic Mass:
400.222g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Literature
Title Journal
A broad activity screen in support of a chemogenomic map for kinase signalling research and drug discovery. The Biochemical journal 20130415
Comprehensive assay of kinase catalytic activity reveals features of kinase inhibitor selectivity. Nature biotechnology 20111101
Retinoblastoma protein modulates the inverse relationship between cellular proliferation and elastogenesis. The Journal of biological chemistry 20111021
Global changes in and characterization of specific sites of phosphorylation in mouse and human histone H1 Isoforms upon CDK inhibitor treatment using mass spectrometry. Journal of proteome research 20080601
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
Inhibition of cyclin-dependent kinase-2 induces apoptosis in human diffuse large B-cell lymphomas. Cell cycle (Georgetown, Tex.) 20071201
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