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CGP-74514A

CAT: 1410-M12989-01Size: 1 EachDry Ice: NoHazardous: No
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Description
A potent, dual CDC-like kinase (CLK) /CDK inhibitor with IC50 of 148, 111, 104, 382 and 573 nM for CLK1, CLK2, CLK4, CDK1 and CDK4, respectively.
CAS Number
190653-73-7
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
385.9
Molecular Formula
C19H24ClN7
Notes
Research use only, not for human use.
Receptor
CLK

Chemical Information

Cgp74514A
CAS Number190653-73-7
PubChem CID2794188
IUPAC Name2-N-[(1R,2S)-2-aminocyclohexyl]-6-N-(3-chlorophenyl)-9-ethylpurine-2,6-diamine
Molecular FormulaC19H24ClN7
Molecular Weight385.9
XLogP3.6
Topological Polar Surface Area93.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity481
SMILES
CCN1C=NC2=C(N=C(N=C21)N[C@@H]3CCCC[C@@H]3N)NC4=CC(=CC=C4)Cl
InChI
InChI=1S/C19H24ClN7/c1-2-27-11-22-16-17(23-13-7-5-6-12(20)10-13)25-19(26-18(16)27)24-15-9-4-3-8-14(15)21/h5-7,10-11,14-15H,2-4,8-9,21H2,1H3,(H2,23,24,25,26)/t14-,15+/m0/s1
InChIKey
UTBSBSOBZHXMHI-LSDHHAIUSA-N
Chemical Structure
2D Structure
2D structure of Cgp74514A
CAS: 190653-73-7
CID: 2794188
Formula: C19H24ClN7
MW: 385.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight385.9
XLogP33.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass385.1781715
Monoisotopic Mass385.1781715
Topological Polar Surface Area93.7 Ų
Heavy Atom Count27
Formal Charge0
Complexity481
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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