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CCT137690

CAS No.:
1095382-05-0
Catalog Number:
AG008TEZ
Molecular Formula:
C26H31BrN8O
Molecular Weight:
551.4813
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$175
- +
10mg
99%
1 week
United States
$210
- +
50mg
99%
1 week
United States
$612
- +
100mg
99%
1 week
United States
$925
- +
Product Description
Catalog Number:
AG008TEZ
Chemical Name:
CCT137690
CAS Number:
1095382-05-0
Molecular Formula:
C26H31BrN8O
Molecular Weight:
551.4813
MDL Number:
MFCD18206879
IUPAC Name:
3-[[4-[6-bromo-2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
InChI:
InChI=1S/C26H31BrN8O/c1-18-15-20(31-36-18)17-33-9-13-35(14-10-33)24-22(27)16-28-26-23(24)29-25(30-26)19-3-5-21(6-4-19)34-11-7-32(2)8-12-34/h3-6,15-16H,7-14,17H2,1-2H3,(H,28,29,30)
InChI Key:
GFLQCBTXTRCREJ-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)c1ccc(cc1)c1nc2c([nH]1)c(N1CCN(CC1)Cc1noc(c1)C)c(cn2)Br
Properties
Complexity:
710  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
550.18g/mol
Formal Charge:
0
Heavy Atom Count:
36  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
551.493g/mol
Monoisotopic Mass:
550.18g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Literature
Title Journal
Optimization of imidazo[4,5-b]pyridine-based kinase inhibitors: identification of a dual FLT3/Aurora kinase inhibitor as an orally bioavailable preclinical development candidate for the treatment of acute myeloid leukemia. Journal of medicinal chemistry 20121025
Selective FLT3 inhibition of FLT3-ITD+ acute myeloid leukaemia resulting in secondary D835Y mutation: a model for emerging clinical resistance patterns. Leukemia 20120701
The aurora kinase inhibitor CCT137690 downregulates MYCN and sensitizes MYCN-amplified neuroblastoma in vivo. Molecular cancer therapeutics 20111101
Molecular modeling studies on imidazo[4,5-b]pyridine derivatives as Aurora A kinase inhibitors using 3D-QSAR and docking approaches. European journal of medicinal chemistry 20110101
Imidazo[4,5-b]pyridine derivatives as inhibitors of Aurora kinases: lead optimization studies toward the identification of an orally bioavailable preclinical development candidate. Journal of medicinal chemistry 20100722
Properties