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CDK4-IN-2

CAT: 0013-GTR19230727-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19230727-02Size:5 mg
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Description
CDK4-IN-2 (A17) is a highly potent and selective CDK4 inhibitor with sub-10 nM Ki and IC50 values. It is widely used in cancer research to study cell cycle progression and proliferation, with applications in both in vitro biochemical assays and in vivo xenograft models for oncology.
CAS Number
2380320-68-1
Field of Research
Cell Biology, Signal Transduction
Smiles
C (C) C1N2C=3C (N=C2COC1) =C (F) C=C (C3) C4=NC (N[C@H]5[C@H] (O) CN (S (C) (=O) =O) CC5) =NC=C4F
Molecular Formula
C22H26F2N6O4S
Molecular Weight
508.54
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Cdk4-IN-2
CAS Number2380320-68-1
PubChem CID155277183
IUPAC Name(3R,4R)-4-[[4-(4-ethyl-9-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-7-yl)-5-fluoropyrimidin-2-yl]amino]-1-methylsulfonylpiperidin-3-ol
Molecular FormulaC22H26F2N6O4S
Molecular Weight508.5
XLogP1.1
Topological Polar Surface Area131
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Heavy Atom Count35
Formal Charge0
Complexity852
SMILES
CCC1COCC2=NC3=C(N12)C=C(C=C3F)C4=NC(=NC=C4F)N[C@@H]5CCN(C[C@H]5O)S(=O)(=O)C
InChI
InChI=1S/C22H26F2N6O4S/c1-3-13-10-34-11-19-27-21-14(23)6-12(7-17(21)30(13)19)20-15(24)8-25-22(28-20)26-16-4-5-29(9-18(16)31)35(2,32)33/h6-8,13,16,18,31H,3-5,9-11H2,1-2H3,(H,25,26,28)/t13?,16-,18-/m1/s1
InChIKey
SKASIVWDIMHKPE-FMRBYIFOSA-N
Chemical Structure
2D Structure
2D structure of Cdk4-IN-2
CAS: 2380320-68-1
CID: 155277183
Formula: C22H26F2N6O4S
MW: 508.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight508.5
XLogP31.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Exact Mass508.17043083
Monoisotopic Mass508.17043083
Topological Polar Surface Area131 Ų
Heavy Atom Count35
Formal Charge0
Complexity852
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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