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CDK4/6-IN-2 50mg

CAT: 0628-A18657-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0628-A18657-50Size:50 mg
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CAS Number
1800506-48-2

Chemical Information

Cdk4/6-IN-2

Bireociclib is an orally bioavailable selective inhibitor of cyclin-dependent kinase (CDK) types 4 (CDK4) and 6 (CDK6), with potential antineoplastic activity. Upon oral administration, bireociclib selectively targets and inhibits the activity of CDK4 and CDK6, which inhibits the phosphorylation of retinoblastoma protein (Rb) early in the G1 phase, prevents CDK-mediated G1-S-phase transition and leads to cell cycle arrest. This suppresses DNA replication and decreases tumor cell proliferation. CDK4 and 6 are serine/threonine kinases that are upregulated in many tumor cell types and play a key role in the regulation of both cell cycle progression from the G1-phase into the S-phase and tumor cell proliferation.

CAS Number1800506-48-2
PubChem CID91820696
IUPAC Name5-[(4-ethylpiperazin-1-yl)methyl]-N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-2-pyridinyl]pyrimidin-2-amine
Molecular FormulaC27H32F2N8
Molecular Weight506.6
XLogP3.8
Topological Polar Surface Area75
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count37
Formal Charge0
Complexity715
SMILES
CCN1CCN(CC1)CC2=CN=C(N=C2)NC3=NC=C(C(=C3)C4=CC5=C(C(=C4)F)N=C(N5C(C)C)C)F
InChI
InChI=1S/C27H32F2N8/c1-5-35-6-8-36(9-7-35)16-19-13-31-27(32-14-19)34-25-12-21(23(29)15-30-25)20-10-22(28)26-24(11-20)37(17(2)3)18(4)33-26/h10-15,17H,5-9,16H2,1-4H3,(H,30,31,32,34)
InChIKey
CMOYPFUEZDEQEH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cdk4/6-IN-2
CAS: 1800506-48-2
CID: 91820696
Formula: C27H32F2N8
MW: 506.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight506.6
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass506.27179938
Monoisotopic Mass506.27179938
Topological Polar Surface Area75 Ų
Heavy Atom Count37
Formal Charge0
Complexity715
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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