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CDK4/6/1 Inhibitor

CAT: 1410-M32833-01Size: 1 EachDry Ice: NoHazardous: No
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Description
CDK4/6/1 Inhibitor (Crozbaciclib) is a type of CDK4/6 inhibitor (IC50s: 3 and 1 nM) . CDK4/6 inhibitor is a class of compounds used for the treatment of some types of hormone receptor positive, HER2-negative breast cancer, which can block the process of breast cancer cell division and reproduction.
CAS Number
2099128-41-1
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
488.57
Molecular Formula
C28H30F2N6
Notes
Research use only, not for human use.
Receptor
CDK

Chemical Information

Crozbaciclib
CAS Number2099128-41-1
PubChem CID129202507
IUPAC Name5-fluoro-4-(7'-fluoro-2'-methylspiro[cyclopentane-1,3'-indole]-5'-yl)-N-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]pyrimidin-2-amine
Molecular FormulaC28H30F2N6
Molecular Weight488.6
XLogP4.6
Topological Polar Surface Area66.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count36
Formal Charge0
Complexity795
SMILES
CC1=NC2=C(C13CCCC3)C=C(C=C2F)C4=NC(=NC=C4F)NC5=NC=C(C=C5)C6CCN(CC6)C
InChI
InChI=1S/C28H30F2N6/c1-17-28(9-3-4-10-28)21-13-20(14-22(29)26(21)33-17)25-23(30)16-32-27(35-25)34-24-6-5-19(15-31-24)18-7-11-36(2)12-8-18/h5-6,13-16,18H,3-4,7-12H2,1-2H3,(H,31,32,34,35)
InChIKey
AEFFENQISAXIKE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Crozbaciclib
CAS: 2099128-41-1
CID: 129202507
Formula: C28H30F2N6
MW: 488.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight488.6
XLogP34.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass488.25000131
Monoisotopic Mass488.25000131
Topological Polar Surface Area66.3 Ų
Heavy Atom Count36
Formal Charge0
Complexity795
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
T10735-01CDK4/6/1 Inhibitor
A19641-10CDK4/6/1 Inhibitor 10mg
A19641-50CDK4/6/1 Inhibitor 50mg
A19641-25CDK4/6/1 Inhibitor 25mg
A19641-100CDK4/6/1 Inhibitor 100mg
A19641-5CDK4/6/1 Inhibitor 5mg
A19641-1CDK4/6/1 Inhibitor 1mg
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