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OSI-027

CAS No.:
936890-98-1
Catalog Number:
AG00GU56
Molecular Formula:
C21H22N6O3
Molecular Weight:
406.4378
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$97
- +
5mg
99%
1 week
United States
$207
- +
10mg
≥98%
1 week
United States
$339
- +
50mg
≥98%
1 week
United States
$822
- +
Product Description
Catalog Number:
AG00GU56
Chemical Name:
OSI-027
CAS Number:
936890-98-1
Molecular Formula:
C21H22N6O3
Molecular Weight:
406.4378
MDL Number:
MFCD20275101
IUPAC Name:
4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid
InChI:
InChI=1S/C21H22N6O3/c1-30-15-4-2-3-13-9-14(25-16(13)15)17-18-19(22)23-10-24-27(18)20(26-17)11-5-7-12(8-6-11)21(28)29/h2-4,9-12,25H,5-8H2,1H3,(H,28,29)(H2,22,23,24)
InChI Key:
JROFGZPOBKIAEW-UHFFFAOYSA-N
SMILES:
COc1cccc2=C/C(=c\3/nc(n4c3c(N)nc[nH]4)C3CCC(CC3)C(=O)O)/N=c12
UNII:
25MKH1SZ0M
Properties
Complexity:
630  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
406.175g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
406.446g/mol
Monoisotopic Mass:
406.175g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
131A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Literature
Title Journal
Discovery of 9-(6-aminopyridin-3-yl)-1-(3-(trifluoromethyl)phenyl)benzo[h][1,6]naphthyridin-2(1H)-one (Torin2) as a potent, selective, and orally available mammalian target of rapamycin (mTOR) inhibitor for treatment of cancer. Journal of medicinal chemistry 20110310
Properties