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CCT128930

CAS No.:
885499-61-6
Catalog Number:
AG00GU2D
Molecular Formula:
C18H20ClN5
Molecular Weight:
341.8379
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥95%
1 week
United States
$105
- +
5mg
≥95%
1 week
United States
$251
- +
10mg
99%
1 week
United States
$405
- +
50mg
99%
1 week
United States
$1193
- +
100mg
99%
1 week
United States
$1854
- +
Product Description
Catalog Number:
AG00GU2D
Chemical Name:
CCT128930
CAS Number:
885499-61-6
Molecular Formula:
C18H20ClN5
Molecular Weight:
341.8379
MDL Number:
MFCD13177916
IUPAC Name:
4-[(4-chlorophenyl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine
InChI:
InChI=1S/C18H20ClN5/c19-14-3-1-13(2-4-14)11-18(20)6-9-24(10-7-18)17-15-5-8-21-16(15)22-12-23-17/h1-5,8,12H,6-7,9-11,20H2,(H,21,22,23)
InChI Key:
RZIDZIGAXXNODG-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)CC1(N)CCN(CC1)c1ncnc2c1cc[nH]2
Properties
Complexity:
418  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.141g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
341.843g/mol
Monoisotopic Mass:
341.141g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Literature
Title Journal
AT13148 is a novel, oral multi-AGC kinase inhibitor with potent pharmacodynamic and antitumor activity. Clinical cancer research : an official journal of the American Association for Cancer Research 20120715
Preclinical pharmacology, antitumor activity, and development of pharmacodynamic markers for the novel, potent AKT inhibitor CCT128930. Molecular cancer therapeutics 20110201
Discovery of 4-amino-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamides as selective, orally active inhibitors of protein kinase B (Akt). Journal of medicinal chemistry 20100311
Identification of 4-(4-aminopiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidines as selective inhibitors of protein kinase B through fragment elaboration. Journal of medicinal chemistry 20080410
Properties