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CDK1/2/4-IN-1

CAT: 0804-HY-146253Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-146253Size:1 Each
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Description
CDK1/2/4-IN-1 (compound 3a) is a potent CDK inhibitor with IC50 values of 1.47, 0.78 and 0.87 μM for CDK1, CDK2 and CDK4, respectively. CDK1/2/4-IN-1 arrests cell cycle at G2/M phase and induces apoptosis. CDK1/2/4-IN-1 elevates Bax, caspase-3, P53 levels and decreases Bcl-2 level. CDK1/2/4-IN-1 can be used for cancer research[1].
CAS Number
2414633-49-9
UNSPSC
12352005
Target
Apoptosis; Bcl-2 Family; Caspase; CDK
Type
Reference compound
Related Pathways
Apoptosis; Cell Cycle/DNA Damage
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/cdk1-2-4-in-1.html
Solubility
10 mM in DMSO
Smiles
O=C(C1=C(C)SC(NC)=N1)/C=C/C2=CC=C(OC)C=C2
Molecular Formula
C15H16N2O2S
Molecular Weight
288.36
References & Citations
[1]Farghaly TA, et, al. Discovery of thiazole-based-chalcones and 4-hetarylthiazoles as potent anticancer agents: Synthesis, docking study and anticancer activity. Bioorg Chem. 2020 May;98:103761.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Bax; Bcl-2; Caspase 3; CDK1; CDK2; CDK4

Chemical Information

Cdk1/2/4-IN-1
CAS Number2414633-49-9
PubChem CID164886606
IUPAC Name(E)-3-(4-methoxyphenyl)-1-[5-methyl-2-(methylamino)-1,3-thiazol-4-yl]prop-2-en-1-one
Molecular FormulaC15H16N2O2S
Molecular Weight288.4
XLogP3.7
Topological Polar Surface Area79.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count20
Formal Charge0
Complexity354
SMILES
CC1=C(N=C(S1)NC)C(=O)/C=C/C2=CC=C(C=C2)OC
InChI
InChI=1S/C15H16N2O2S/c1-10-14(17-15(16-2)20-10)13(18)9-6-11-4-7-12(19-3)8-5-11/h4-9H,1-3H3,(H,16,17)/b9-6+
InChIKey
UFLGJZHPDAVXQK-RMKNXTFCSA-N
Chemical Structure
2D Structure
2D structure of Cdk1/2/4-IN-1
CAS: 2414633-49-9
CID: 164886606
Formula: C15H16N2O2S
MW: 288.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight288.4
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass288.09324893
Monoisotopic Mass288.09324893
Topological Polar Surface Area79.5 Ų
Heavy Atom Count20
Formal Charge0
Complexity354
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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