(2'S,3R,4'S,5'R)-6-Chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-N-(trans-4-hydroxycyclohexyl)-2-oxo-1,2-dihydrospiro(indole-3,3'-pyrrolidine)-5'-carboxamide

Base Information

• Chemical Name: (2'S,3R,4'S,5'R)-6-Chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-N-(trans-4-hydroxycyclohexyl)-2-oxo-1,2-dihydrospiro(indole-3,3'-pyrrolidine)-5'-carboxamide
• CAS No.: 1303607-60-4
• Molecular Formula: C29H34Cl2FN3O3
• Molecular Weight: 562.5
• UNII: 8570LZ3RCA
• Nikkaji Number: J3.480.771J
• Wikidata: Q27269599
• NCI Thesaurus Code: C106120
• Pharos Ligand ID: F8S2B7XUXDVK,F8SBJJGLX55J
• ChEMBL ID: CHEMBL2381408,CHEMBL3961782
• Mol file: 1303607-60-4.mol

Synonyms:MI-77301;SAR-405838;SAR405838

Chemical Property of (2'S,3R,4'S,5'R)-6-Chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-N-(trans-4-hydroxycyclohexyl)-2-oxo-1,2-dihydrospiro(indole-3,3'-pyrrolidine)-5'-carboxamide

Chemical Property:

• Boiling Point: 732.1±60.0 °C(Predicted)
• PKA: 12.03±0.70(Predicted)
• PSA: 90.46000
• Density: 1.36±0.1 g/cm3(Predicted)
• LogP: 6.16020
• Solubility.: ≥17.2 mg/mL in DMSO
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 561.1961255
• Heavy Atom Count: 38
• Complexity: 895

Purity/Quality:

98% min ^*data from raw suppliers

MI-77301 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)CC1C2(C(C(N1)C(=O)NC3CCC(CC3)O)C4=C(C(=CC=C4)Cl)F)C5=C(C=C(C=C5)Cl)NC2=O
• Isomeric SMILES: CC(C)(C)C[C@H]1[C@@]2([C@H]([C@@H](N1)C(=O)NC3CCC(CC3)O)C4=C(C(=CC=C4)Cl)F)C5=C(C=C(C=C5)Cl)NC2=O
• Recent ClinicalTrials: Phase 1 Safety Testing of SAR405838
• Description: The protein p53, often called the ‘guardian of the genome,’ is a transcription factor that is activated in response to cellular stress (low oxygen levels, heat shock, DNA damage, etc.) and acts to prevent further proliferation of the stressed cell by promoting cell cycle arrest or apoptosis. Its role as a tumor suppressor is evident by the observation that approximately 50% of human tumors have mutated or non-functional p53. Mdm2, a key negative regulator of p53, which is over-expressed in many human tumors, functions by binding to and targeting p53 for proteasomal degradation. MI-77301 binds to MDM2 with a Ki value of 0.88 nM and blocks the MDM2-p53 interaction. It activates wild-type p53 in vitro and in xenograft tumor tissue of leukemia and solid tumors, leading to p53-dependent cell cycle arrest and/or apoptosis. In an SJSA-1 xenograft model of osteosarcoma, a single dose of 200 mg/kg MI-77301 induces complete tumor regression in mice by upregulating the pro-apoptotic protein PUMA.
• Uses: MI-773 is aninhibitors of MDM2-p53 protein-protein interaction (MDM2 inhibitors), currently investigated in clinical trials for cancer treatment.