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Home Other Building Blocks Gsk1838705a

Gsk1838705a

CAS No.:
1116235-97-2
Catalog Number:
AG003A9W
Molecular Formula:
C27H29FN8O3
Molecular Weight:
532.5694
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$182
- +
10mg
99%
1 week
United States
$279
- +
25mg
≥95%
1 week
United States
$676
- +
50mg
99%
1 week
United States
$918
- +
100mg
99%
1 week
United States
$1376
- +
Product Description
Catalog Number:
AG003A9W
Chemical Name:
Gsk1838705a
CAS Number:
1116235-97-2
Molecular Formula:
C27H29FN8O3
Molecular Weight:
532.5694
MDL Number:
MFCD19443644
IUPAC Name:
2-[[2-[[1-[2-(dimethylamino)acetyl]-5-methoxy-2,3-dihydroindol-6-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-6-fluoro-N-methylbenzamide
InChI:
InChI=1S/C27H29FN8O3/c1-29-26(38)23-17(28)6-5-7-18(23)31-25-16-8-10-30-24(16)33-27(34-25)32-19-13-20-15(12-21(19)39-4)9-11-36(20)22(37)14-35(2)3/h5-8,10,12-13H,9,11,14H2,1-4H3,(H,29,38)(H3,30,31,32,33,34)
InChI Key:
HZTYDQRUAWIZRE-UHFFFAOYSA-N
SMILES:
CNC(=O)c1c(cccc1F)Nc1nc(Nc2cc3c(cc2OC)CCN3C(=O)CN(C)C)nc2c1cc[nH]2
Properties
Complexity:
867  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
532.235g/mol
Formal Charge:
0
Heavy Atom Count:
39  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
532.58g/mol
Monoisotopic Mass:
532.235g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Literature
Title Journal
Comprehensive analysis of kinase inhibitor selectivity. Nature biotechnology 20111030
Anaplastic Lymphoma Kinase: role in specific tumours, and development of small molecule inhibitors for cancer therapy. Cancer letters 20101228
Activation state-dependent binding of small molecule kinase inhibitors: structural insights from biochemistry. Chemistry & biology 20101124
The emerging pathogenic and therapeutic importance of the anaplastic lymphoma kinase gene. European journal of cancer (Oxford, England : 1990) 20100901
GSK1838705A inhibits the insulin-like growth factor-1 receptor and anaplastic lymphoma kinase and shows antitumor activity in experimental models of human cancers. Molecular cancer therapeutics 20091001
Optimization of 4,6-bis-anilino-1H-pyrrolo[2,3-d]pyrimidine IGF-1R tyrosine kinase inhibitors towards JNK selectivity. Bioorganic & medicinal chemistry letters 20090115
Properties