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Gdc-0032

CAS No.:
1282512-48-4
Catalog Number:
AG000XWI
Molecular Formula:
C24H28N8O2
Molecular Weight:
460.5315
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
98%(HPLC)
In Stock USA
United States
$54
- +
5mg
98%(HPLC)
In Stock USA
United States
$132
- +
10mg
98%(HPLC)
In Stock USA
United States
$176
- +
25mg
98%(HPLC)
In Stock USA
United States
$333
- +
50mg
98%(HPLC)
In Stock USA
United States
$547
- +
Product Description
Catalog Number:
AG000XWI
Chemical Name:
Gdc-0032
CAS Number:
1282512-48-4
Molecular Formula:
C24H28N8O2
Molecular Weight:
460.5315
MDL Number:
MFCD26142641
IUPAC Name:
2-methyl-2-[4-[2-(5-methyl-2-propan-2-yl-1,2,4-triazol-3-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]pyrazol-1-yl]propanamide
InChI:
InChI=1S/C24H28N8O2/c1-14(2)32-22(27-15(3)29-32)19-13-30-8-9-34-20-10-16(6-7-18(20)21(30)28-19)17-11-26-31(12-17)24(4,5)23(25)33/h6-7,10-14H,8-9H2,1-5H3,(H2,25,33)
InChI Key:
BEUQXVWXFDOSAQ-UHFFFAOYSA-N
SMILES:
Cc1nn(c(n1)c1cn2c(n1)c1ccc(cc1OCC2)c1cnn(c1)C(C(=O)N)(C)C)C(C)C
UNII:
L08J2O299M
Properties
Complexity:
751  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
460.234g/mol
Formal Charge:
0
Heavy Atom Count:
34  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
460.542g/mol
Monoisotopic Mass:
460.234g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Literature
Title Journal
Taselisib, a selective inhibitor of PIK3CA, is highly effective on PIK3CA-mutated and HER2/neu amplified uterine serous carcinoma in vitro and in vivo. Gynecologic oncology 20141101
Discovery of 2-{3-[2-(1-isopropyl-3-methyl-1H-1,2-4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl]-1H-pyrazol-1-yl}-2-methylpropanamide (GDC-0032): a β-sparing phosphoinositide 3-kinase inhibitor with high unbound exposure and robust in vivo antitumor activity. Journal of medicinal chemistry 20130613
Properties