Incadronic acid

Base Information

• Chemical Name: Incadronic acid
• CAS No.: 124351-85-5
• Molecular Formula: C8H19 N O6 P2
• Molecular Weight: 287.19
• NSC Number: 723271
• UNII: G5C4M8847E
• DSSTox Substance ID: DTXSID90154283
• Nikkaji Number: J615.831E
• Wikipedia: Incadronic_acid
• Wikidata: Q2823272
• NCI Thesaurus Code: C65906
• Pharos Ligand ID: WAP5QJB4RPQZ
• ChEMBL ID: CHEMBL53950
• Mol file: 124351-85-5.mol

Synonyms:cimadronate;cycloheptylaminomethylene-1,1-bisphosphonate;hydronium (cycloheptylammonio)methylene-1,1-bisphosphonate;hydronium incadronate;incadronate;YM 175;YM-175;YM175

Chemical Property of Incadronic acid

Chemical Property:

• Vapor Pressure: 3.3E-14mmHg at 25°C
• Melting Point: 232-233°
• Boiling Point: 564.2°Cat760mmHg
• Flash Point: 295°C
• PSA: 146.71000
• Density: 1.48g/cm³
• LogP: 1.32870
• Storage Temp.: 2-8°C
• XLogP3: -3.5
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 287.06876132
• Heavy Atom Count: 17
• Complexity: 307

Purity/Quality:

97% ^*data from raw suppliers

Incandronate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCCC(CC1)NC(P(=O)(O)O)P(=O)(O)O
• Description: Bisphonal, a new third generation drug, was launched in Japan for the treatment of osteoporosis. It can be prepared in two steps by heating cycloheptylamine, triethylorthoformate and diethyl phosphite followed by ester hydrolysis. The mechanism of action is not well understood. Bisphonal has no effect on bone mineralization but tightly binds to calcified bone matrix and inhibits bone resorption. It causes a decrease in the number and activity of osteoclasts (morphology and decrease in H+ secretion). They seem to undergo cell death with an impairment in the process of osteoclast formation. Bisphonal does not induce osteomalacia and its activity is partly mediated through osteoblasts (releases an inhibitor of osteoclast recruitment). It is a potent inhibitor of squalene synthase (50-fold) maybe by Mg2+ chelation or as a pyrophosphate mimic, undergoes practically no metabolism, and stimulates renal production of 1,25-dihydroxyvitamin D.
• Uses: Incandronate is a bisphosphonate derivative. Bisphosphonates are most widely used as agents for treating osteoporosis and have also been used for other purposes such as herbicides, anticancer agents, and antiparasitics.

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