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Chemical structure of p53 and MDM2 proteins-interaction-inhibitor chiral

GC36835

p53 and MDM2 proteins-interaction-inhibitor chiral

Also known as 2-[4-[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone

p53 and MDM2 proteins-interaction-inhibitor chiral (Compound 32) is an inhibitor of the interaction between p53 and MDM2 proteins

ChemicalCAS939981-37-0MW734.75FormulaC40H49Cl2N5O4
CAS number
939981-37-0
Molecular weight
734.75
Formula
C40H49Cl2N5O4
Solubility
DMSO： 50 mg/mL (68·05 mM); Water： ＜ 0·1 mg/mL (insoluble)
InChIKey
DJZBZZRLUQDRII-IOLBBIBUSA-N
Catalogue number
GC36835
Brand
GLPBIO
Computed properties PubChem CID 17754765 · XLogP 6.7 · TPSA 77.9 Ų · H-bond donors 0
XLogP
6.7
TPSA
77.9 Ų
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
51

SMILES CCOC1=C(C=CC(=C1)C(C)(C)C)C2=N[C@@]([C@@](N2C(=O)N3CCN(CC3)CC(=O)N4CCOCC4)(C)C5=CC=C(C=C5)Cl)(C)C6=CC=C(C=C6)Cl

Computed descriptors from PubChem (CID 17754765), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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