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Cdk4/6 Inhibitor IV

CAT: 1410-M21881-01Size: 1 EachDry Ice: NoHazardous: No
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Description
Cdk4/6 inhibitor IV is a cell-permeable triaminopyrimidine that reversibly blocks Cdk4/cyclin D1 and Cdk6/cyclin D1 activity with IC50 values of 1.5 and 5.6 μM, respectively.
CAS Number
359886-84-3
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
456.6
Molecular Formula
C27H32N6O
Notes
Research use only, not for human use.
Receptor
——

Chemical Information

Cdk4/6 Inhibitor IV

4-[[6-(ethylamino)-2-[[1-(phenylmethyl)-5-indolyl]amino]-4-pyrimidinyl]amino]-1-cyclohexanol is a member of indoles.

CAS Number359886-84-3
PubChem CID24825971
IUPAC Name4-[[2-[(1-benzylindol-5-yl)amino]-6-(ethylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
Molecular FormulaC27H32N6O
Molecular Weight456.6
XLogP5.4
Topological Polar Surface Area87
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count34
Formal Charge0
Complexity608
SMILES
CCNC1=CC(=NC(=N1)NC2=CC3=C(C=C2)N(C=C3)CC4=CC=CC=C4)NC5CCC(CC5)O
InChI
InChI=1S/C27H32N6O/c1-2-28-25-17-26(29-21-8-11-23(34)12-9-21)32-27(31-25)30-22-10-13-24-20(16-22)14-15-33(24)18-19-6-4-3-5-7-19/h3-7,10,13-17,21,23,34H,2,8-9,11-12,18H2,1H3,(H3,28,29,30,31,32)
InChIKey
YVXCDLCJCIDFHE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cdk4/6 Inhibitor IV
CAS: 359886-84-3
CID: 24825971
Formula: C27H32N6O
MW: 456.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight456.6
XLogP35.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass456.26375967
Monoisotopic Mass456.26375967
Topological Polar Surface Area87 Ų
Heavy Atom Count34
Formal Charge0
Complexity608
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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Alternative Products

CatalogName
TBI4807-10MGRibociclib, CDK4/6 inhibitor
T10735-01CDK4/6/1 Inhibitor
GTR19157958-01Cdk4/6 Inhibitor IV
A19641-10CDK4/6/1 Inhibitor 10mg
444076Cdk4/6 Inhibitor IV (CINK4)
TRC-C228139-75MGCdk4/6 Inhibitor IV-labelled
A19641-50CDK4/6/1 Inhibitor 50mg
A19641-25CDK4/6/1 Inhibitor 25mg
A19641-100CDK4/6/1 Inhibitor 100mg
A19641-5CDK4/6/1 Inhibitor 5mg

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