Odanacatib

Base Information

• Chemical Name: Odanacatib
• CAS No.: 603139-19-1
• Molecular Formula: C25H27F4N3O3S
• Molecular Weight: 525.564
• European Community (EC) Number: 682-460-8
• UNII: N673F6W2VH
• DSSTox Substance ID: DTXSID40209075
• Nikkaji Number: J2.625.695J
• Wikipedia: Odanacatib
• Wikidata: Q2014070
• NCI Thesaurus Code: C66981
• Pharos Ligand ID: SPSC5FG57LP3
• Metabolomics Workbench ID: 149891
• ChEMBL ID: CHEMBL481611
• Mol file: 603139-19-1.mol

Synonyms:L-1037536;MK-0822;odanacatib

Chemical Property of Odanacatib

Chemical Property:

• Melting Point: 223-224 °C
• Boiling Point: 681.6±55.0 °C(Predicted)
• PKA: 12.06±0.20(Predicted)
• PSA: 107.44000
• Density: 1.35 g/cm³
• LogP: 6.49188
• Storage Temp.: Sealed in dry,Store in freezer, under -20°C
• Solubility.: Chloroform (Slightly, Heated, Sonicated), Methanol (Slightly, Sonicated)
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 9
• Exact Mass: 525.17092555
• Heavy Atom Count: 36
• Complexity: 934

Purity/Quality:

98%,99%, ^*data from raw suppliers

MK-0822 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(CC(C(=O)NC1(CC1)C#N)NC(C2=CC=C(C=C2)C3=CC=C(C=C3)S(=O)(=O)C)C(F)(F)F)F
• Isomeric SMILES: CC(C)(C[C@@H](C(=O)NC1(CC1)C#N)N[C@@H](C2=CC=C(C=C2)C3=CC=C(C=C3)S(=O)(=O)C)C(F)(F)F)F
• Recent ClinicalTrials: A Study of MK-0822 in Postmenopausal Women With Osteoporosis to Assess Fracture Risk (MK-0822-018)
• Recent EU Clinical Trials: An Open-Label 5-Year 2nd Extension to: A Phase III Randomized, Placebo-Controlled
• Uses: MK-0822 is a newly developed bone-targeting dual action pro-drug for osteoporosis and bone metastasis. It is also an inhibitor of cathepsin K, an enzyme involved in bone resorption.