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CCT245737

CAS No.:
1489389-18-5
Catalog Number:
AG00ABR8
Molecular Formula:
C16H16F3N7O
Molecular Weight:
379.3397
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$196
- +
10mg
99%
1 week
United States
$265
- +
25mg
99%
1 week
United States
$460
- +
50mg
99%
1 week
United States
$737
- +
100mg
99%
1 week
United States
$1098
- +
Product Description
Catalog Number:
AG00ABR8
Chemical Name:
CCT245737
CAS Number:
1489389-18-5
Molecular Formula:
C16H16F3N7O
Molecular Weight:
379.3397
MDL Number:
MFCD30489721
IUPAC Name:
5-[[4-[[(2R)-morpholin-2-yl]methylamino]-5-(trifluoromethyl)pyridin-2-yl]amino]pyrazine-2-carbonitrile
InChI:
InChI=1S/C16H16F3N7O/c17-16(18,19)12-8-25-14(26-15-9-22-10(4-20)5-24-15)3-13(12)23-7-11-6-21-1-2-27-11/h3,5,8-9,11,21H,1-2,6-7H2,(H2,23,24,25,26)/t11-/m1/s1
InChI Key:
YBYYWUUUGCNAHQ-LLVKDONJSA-N
SMILES:
N#Cc1cnc(cn1)Nc1ncc(c(c1)NC[C@H]1CNCCO1)C(F)(F)F
Properties
Complexity:
526  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
379.137g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
379.347g/mol
Monoisotopic Mass:
379.137g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Literature
Title Journal
Multiparameter Lead Optimization to Give an Oral Checkpoint Kinase 1 (CHK1) Inhibitor Clinical Candidate: (R)-5-((4-((Morpholin-2-ylmethyl)amino)-5-(trifluoromethyl)pyridin-2-yl)amino)pyrazine-2-carbonitrile (CCT245737). Journal of medicinal chemistry 20160609
The clinical development candidate CCT245737 is an orally active CHK1 inhibitor with preclinical activity in RAS mutant NSCLC and Eµ-MYC driven B-cell lymphoma. Oncotarget 20160119
Properties