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Chemical structure of Thalidomide-NH-CBP/p300 ligand 2

GC63543

Thalidomide-NH-CBP/p300 ligand 2

Also known as 3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-[1-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]octanoyl]piperidin-4-yl]-N-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide

Thalidomide-NH-CBP/p300 ligand 2 (P-007) is a PROTAC-based CBP and p300 degrader (extracted from patent WO2020173440)

ChemicalCAS2484739-21-9MW922.03FormulaC48H57F2N11O6
CAS number
2484739-21-9
Molecular weight
922.03
Formula
C48H57F2N11O6
Solubility
DMSO ： 113·33 mg/mL (122·91 mM; Need ultrasonic)
InChIKey
ZTXHWKWVLNMDFC-UHFFFAOYSA-N
Catalogue number
GC63543
Brand
GLPBIO
Computed properties PubChem CID 154690117 · XLogP 4.3 · TPSA 187 Ų · H-bond donors 3
XLogP
4.3
TPSA
187 Ų
H-bond donors
3
H-bond acceptors
12
Rotatable bonds
14
Heavy atoms
67

SMILES CNC(=O)N1CCC2=C(C1)C(=NN2C3CCN(CC3)C(=O)CCCCCCCNC4=CC5=C(C=C4)C(=O)N(C5=O)C6CCC(=O)NC6=O)N7CCCC8=CC(=C(C=C87)C(F)F)C9=CN(N=C9)C

Computed descriptors from PubChem (CID 154690117), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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