nutlin-3B

Base Information

• Chemical Name: nutlin-3B
• CAS No.: 675576-97-3
• Molecular Formula: C30H30Cl2N4O4
• Molecular Weight: 581.499
• UNII: FJA1772CVW
• ChEMBL ID: CHEMBL2152332
• DSSTox Substance ID: DTXSID20217890,DTXSID3044330
• Metabolomics Workbench ID: 56689
• Nikkaji Number: J2.672.085K
• Pharos Ligand ID: 2WF65BJ3T7HM
• Wikidata: Q7070462
• Mol file: 675576-97-3.mol

Synonyms:nutlin 3;nutlin-3;nutlin-3A;nutlin-3B

Chemical Property of nutlin-3B

Chemical Property:

• PKA: 14.35±0.20(Predicted)
• PSA: 86.96000
• Density: 1.36
• LogP: 5.47310
• Solubility.: insoluble in H2O; ≥55.5 mg/mL in EtOH; ≥57.25 mg/mL in DMSO
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 580.1644108
• Heavy Atom Count: 40
• Complexity: 919

Purity/Quality:

99%+, ^*data from raw suppliers

Nutlin3b ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl
• Isomeric SMILES: CC(C)OC1=C(C=CC(=C1)OC)C2=N[C@@H]([C@@H](N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl
• Description: (+)-Nutlin-3 is the enantiomer and less active form of the p53-Mdm2 protein-protein interaction inhibitor (–)-nutlin-3 . It inhibits the interaction between p53 and Mdm2 150-fold less potently than (–)-nutlin-3 with an IC50 value of 13.6 μM. (+)-Nutlin-3 has been used as a negative control for the p53-modulating activity of (–)-nutlin-3 in cancer cells.
• Uses: Nutlin 3b is a small molecule MDM2 antagonist.