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CDK4/6-IN-14

CAT: 0013-GTR19212514-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19212514-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CDK4/6-IN-14 is a highly selective CDK4/6 inhibitor with IC50 values of 10 nM and 16 nM, respectively, showing over 60-fold selectivity against other CDKs. It is a valuable research tool for studying cell cycle progression and has been utilized in both in vitro and in vivo models of cancer research.
CAS Number
2699091-15-9
Field of Research
Cell Biology, Signal Transduction
Smiles
Cl.O=C1C=2C=CC (=CC2CCN1CC) C3=NC (=NC=C3F) NC4=NC=C (C=C4) N5CCNCC5
Molecular Formula
C24H27ClFN7O
Molecular Weight
483.97
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Cdk4/6-IN-14
CAS Number2699091-15-9
PubChem CID166176928
IUPAC Name2-ethyl-6-[5-fluoro-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-3,4-dihydroisoquinolin-1-one;hydrochloride
Molecular FormulaC24H27ClFN7O
Molecular Weight484.0
Topological Polar Surface Area86.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count34
Formal Charge0
Complexity663
SMILES
CCN1CCC2=C(C1=O)C=CC(=C2)C3=NC(=NC=C3F)NC4=NC=C(C=C4)N5CCNCC5.Cl
InChI
InChI=1S/C24H26FN7O.ClH/c1-2-31-10-7-16-13-17(3-5-19(16)23(31)33)22-20(25)15-28-24(30-22)29-21-6-4-18(14-27-21)32-11-8-26-9-12-32;/h3-6,13-15,26H,2,7-12H2,1H3,(H,27,28,29,30);1H
InChIKey
YSHOLNDNMRZMSC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cdk4/6-IN-14
CAS: 2699091-15-9
CID: 166176928
Formula: C24H27ClFN7O
MW: 484.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight484.0
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass483.1949644
Monoisotopic Mass483.1949644
Topological Polar Surface Area86.3 Ų
Heavy Atom Count34
Formal Charge0
Complexity663
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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