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Palbociclib-d8

CAT: 0931-T12355-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T12355-04Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1628752-83-9
Target
CDK
Related Pathways
Cell Cycle/Checkpoint
Bioactivity
Palbociclib-d8 (PD 0332991 D8) is the 2H-labeled form of Palbociclib. Palbociclib is an orally active CDK inhibitor that inhibits CDK4 and CDK6 (IC50=11/16 nM) . Palbociclib has anti-tumor activity and is used in research for estrogen receptor-positive and HER2-negative breast cancer.
Smiles
O=C1N(C=2C(C(C)=C1C(C)=O)=CN=C(NC3=CC=C(C=N3)N4C(C(NC(C4([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])N2)C5CCCC5
Molecular Formula
C24H21D8N7O2
Molecular Weight
455.58
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Palbociclib-d8
CAS Number1628752-83-9
PubChem CID76974685
IUPAC Name6-acetyl-8-cyclopentyl-5-methyl-2-[[5-(2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one
Molecular FormulaC24H29N7O2
Molecular Weight455.6
XLogP1.8
Topological Polar Surface Area103
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count33
Formal Charge0
Complexity775
SMILES
[2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C)([2H])[2H])[2H]
InChI
InChI=1S/C24H29N7O2/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29)/i9D2,10D2,11D2,12D2
InChIKey
AHJRHEGDXFFMBM-PMCMNDOISA-N
Chemical Structure
2D Structure
2D structure of Palbociclib-d8
CAS: 1628752-83-9
CID: 76974685
Formula: C24H29N7O2
MW: 455.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight455.6
XLogP31.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass455.28848716
Monoisotopic Mass455.28848716
Topological Polar Surface Area103 Ų
Heavy Atom Count33
Formal Charge0
Complexity775
Isotope Atom Count8
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
HY-50767SPalbociclib-d8
HY-151454SN-Formyl palbociclib-d8
RM-P020409-01Palbociclib-d8 (controlled substance)
BA3750-1000Palbociclib

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