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Chemical structure of PROTAC CDK2/9 Degrader-1

GC62666

PROTAC CDK2/9 Degrader-1

Also known as N-[4-[[4-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethylamino]-4-oxobutanoyl]piperazin-1-yl]methyl]phenyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-1H-pyrazole-5-carboxamide

PROTAC CDK2/9 Degrader-1 (Compound F3) is a potent dual degrader for CDK2 (DC50=62 nM) and CDK9 (DC50=33 nM)· PROTAC CDK2/9 Degrader-1 suppresses prostate cancer PC-3 cell proliferation (IC50=0·12 ?M) by effectively blocking the cell cycle in S and G2/M phases· PROTAC CDK2/9 Degrader-1 is a PROTAC by tethering CDK inhibitor with Cereblon ligand

ChemicalCAS2408641-24-5MW815.84FormulaC40H41N13O7
CAS number
2408641-24-5
Molecular weight
815.84
Formula
C40H41N13O7
Solubility
DMSO : 130 mg/mL (159·34 mM; Need ultrasonic)
InChIKey
BRYMZSSAIDEFEM-UHFFFAOYSA-N
Catalogue number
GC62666
Brand
GLPBIO
Computed properties PubChem CID 145925673 · XLogP 1.3 · TPSA 260 Ų · H-bond donors 7
XLogP
1.3
TPSA
260 Ų
H-bond donors
7
H-bond acceptors
13
Rotatable bonds
14
Heavy atoms
60

SMILES C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)NCCNC(=O)CCC(=O)N4CCN(CC4)CC5=CC=C(C=C5)NC(=O)C6=C(C=NN6)NC7=NC=NC8=C7C=CN8

Computed descriptors from PubChem (CID 145925673), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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