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CDK4/6-IN-15

CAT: 0804-HY-142076-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-142076-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CDK4/6-IN-15 is an orally active and selective CDK4/6 inhibitor. CDK4/6-IN-15 potently inhibits cancer cells growth. CDK4/6-IN-15 arrests cell cycle at G1 phase and suppresses retinoblastoma tumour suppressor protein (Rb) phosphorylation at S780 and E2 factor (E2F) -regulated gene expression[1].
CAS Number
2078047-99-9
UNSPSC
12352005
Target
CDK
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/cdk4-6-in-15.html
Purity
99.32
Solubility
DMSO : 5 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
CNC1=NC(C)=C(C2=NC(NC3=NC=C(N4CCC(N(C)C)CC4)C=C3)=NC=C2F)S1
Molecular Formula
C21H27FN8S
Molecular Weight
442.56
References & Citations
[1]Tadesse S, et al. Discovery and pharmacological characterization of a novel series of highly selective inhibitors of cyclin-dependent kinases 4 and 6 as anticancer agents. Br J Pharmacol. 2018 Jun;175 (12) :2399-2413.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
CDK2; CDK4; CDK6

Chemical Information

Cdk4/6-IN-15
CAS Number2078047-99-9
PubChem CID135286280
IUPAC Name5-[2-[[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]-N,4-dimethyl-1,3-thiazol-2-amine
Molecular FormulaC21H27FN8S
Molecular Weight442.6
XLogP3.6
Topological Polar Surface Area110
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity563
SMILES
CC1=C(SC(=N1)NC)C2=NC(=NC=C2F)NC3=NC=C(C=C3)N4CCC(CC4)N(C)C
InChI
InChI=1S/C21H27FN8S/c1-13-19(31-21(23-2)26-13)18-16(22)12-25-20(28-18)27-17-6-5-15(11-24-17)30-9-7-14(8-10-30)29(3)4/h5-6,11-12,14H,7-10H2,1-4H3,(H,23,26)(H,24,25,27,28)
InChIKey
NAGFLZVMWVHHLW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cdk4/6-IN-15
CAS: 2078047-99-9
CID: 135286280
Formula: C21H27FN8S
MW: 442.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight442.6
XLogP33.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Exact Mass442.20634223
Monoisotopic Mass442.20634223
Topological Polar Surface Area110 Ų
Heavy Atom Count31
Formal Charge0
Complexity563
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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