Beloranib

Base Information

• Chemical Name: Beloranib
• CAS No.: 251111-30-5
• Molecular Formula: C29H41NO6
• Molecular Weight: 499.64
• UNII: FI471K8BU6
• DSSTox Substance ID: DTXSID40179800
• Nikkaji Number: J2.308.836C
• Wikipedia: Beloranib
• Wikidata: Q4884554
• NCI Thesaurus Code: C90656
• Metabolomics Workbench ID: 153617
• ChEMBL ID: CHEMBL4297504
• Mol file: 251111-30-5.mol

Synonyms:(3R,4S,5S,6R)-5-methoxy-4-((2R,3R)-2-methyl-3-(3-methyl-2-buten-1-yl)-2-oxiranyl)-1-oxaspiro(2.5)oct-6-yl (2E)-3-(4-(2-(dimethylamino)ethoxy)phenyl)acrylate;beloranib;CKD-732;CKD732;O-(4-dimethylaminoethoxycinnamoyl)fumagillol

Chemical Property of Beloranib

Chemical Property:

• Boiling Point: 604.1±55.0 °C(Predicted)
• PKA: 8.63±0.28(Predicted)
• PSA: 73.06000
• Density: 1.15±0.1 g/cm3(Predicted)
• LogP: 4.25980
• Storage Temp.: Amber Vial, -20°C Freezer, Under inert atmosphere
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 12
• Exact Mass: 499.29338803
• Heavy Atom Count: 36
• Complexity: 815

Purity/Quality:

99% ^*data from raw suppliers

Beloranib ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CCC1C(O1)(C)C2C(C(CCC23CO3)OC(=O)C=CC4=CC=C(C=C4)OCCN(C)C)OC)C
• Isomeric SMILES: CC(=CC[C@@H]1[C@@](O1)(C)[C@H]2[C@@H]([C@@H](CC[C@]23CO3)OC(=O)/C=C/C4=CC=C(C=C4)OCCN(C)C)OC)C
• Recent ClinicalTrials: An Efficacy, Safety and Pharmacokinetics Study of Beloranib (ZGN-440 for Injectable Suspension) in Obese Subjects
• Recent EU Clinical Trials: Randomized, Double-Blind, Placebo Controlled, Phase 3 Trial of Beloranib in Obese Subjects with Prader-Willi Syndrome to Evaluate Food-related Behavior, Total Body Weight, and Safety Over 52 Weeks
• Uses: Beloranib is a pharmaceutical drug that is currently being evaluated through biological studies for its potential to combat obesity.