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GNE-493

CAS No.:
1033735-94-2
Catalog Number:
AG008TGJ
Molecular Formula:
C17H20N6O2S
Molecular Weight:
372.4447
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
95%
1 week
United States
$543
- +
10mg
95%
1 week
United States
$690
- +
Product Description
Catalog Number:
AG008TGJ
Chemical Name:
GNE-493
CAS Number:
1033735-94-2
Molecular Formula:
C17H20N6O2S
Molecular Weight:
372.4447
MDL Number:
MFCD18251526
IUPAC Name:
2-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-ol
InChI:
InChI=1S/C17H20N6O2S/c1-17(2,24)12-7-11-13(26-12)15(23-3-5-25-6-4-23)22-14(21-11)10-8-19-16(18)20-9-10/h7-9,24H,3-6H2,1-2H3,(H2,18,19,20)
InChI Key:
LEXMMFPAPDGYGZ-UHFFFAOYSA-N
SMILES:
Nc1ncc(cn1)c1nc(N2CCOCC2)c2c(n1)cc(s2)C(O)(C)C
UNII:
0L843LS9YK
Properties
Complexity:
484  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.137g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
372.447g/mol
Monoisotopic Mass:
372.137g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
139A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Literature
Title Journal
Rational design of phosphoinositide 3-kinase α inhibitors that exhibit selectivity over the phosphoinositide 3-kinase β isoform. Journal of medicinal chemistry 20111124
Discovery of (thienopyrimidin-2-yl)aminopyrimidines as potent, selective, and orally available pan-PI3-kinase and dual pan-PI3-kinase/mTOR inhibitors for the treatment of cancer. Journal of medicinal chemistry 20100211
Properties