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Chemical structure of p53-MDM2-IN-1

GC77011

p53-MDM2-IN-1

Also known as (4E)-5-(4-chlorophenyl)-4-[hydroxy(phenyl)methylidene]-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione

p53-MDM2-IN-1 (Example 30) is an inhibitor of p53-MDM2/X protein interaction with an Ki value of 23·35 ?M· p53-MDM2-IN-1 can be used for anti-tumor research

ChemicalCAS381717-91-5MW421.88FormulaC23H20ClN3O3
CAS number
381717-91-5
Molecular weight
421.88
Formula
C23H20ClN3O3
Solubility
DMSO： 2·5 mg/mL (5·93 mM; ultrasonic and warming and heat to 60°C)
InChIKey
JBSITHXZPKMWGY-XUTLUUPISA-N
Catalogue number
GC77011
Brand
GLPBIO
Computed properties PubChem CID 6049382 · XLogP 3.7 · TPSA 75.4 Ų · H-bond donors 1
XLogP
3.7
TPSA
75.4 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
30

SMILES C1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC=C(C=C4)Cl)/O

Computed descriptors from PubChem (CID 6049382), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Documents
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