Olpadronic acid

Base Information

• Chemical Name: Olpadronic acid
• CAS No.: 63132-39-8
• Molecular Formula: C5H15NO7P2
• Molecular Weight: 263.121
• Hs Code.: 2931900090
• European Community (EC) Number: 831-555-4
• UNII: 874HHB2V3S
• DSSTox Substance ID: DTXSID50212479
• Nikkaji Number: J556.179E
• Wikipedia: Olpadronic_acid
• Wikidata: Q2823292
• NCI Thesaurus Code: C79878
• ChEMBL ID: CHEMBL55812
• Mol file: 63132-39-8.mol

Synonyms:(3-dimethylamino-1-hydroxypropylidene)-1,1-biphosphonate;3-dimethylamino-1-hydroxypropylidene-1,1-bisphosphonate;AHGA diphosphonate;alpha-hydroxydimethyl-gamma-aminopropylidene biphosphonate;dimethyl-pamidronate;hydroxydimethyl aminopropylidene biphosphonate;Me2-APD;olpadronate;olpadronic acid

Chemical Property of Olpadronic acid

Chemical Property:

• Vapor Pressure: 2.21E-16mmHg at 25°C
• Refractive Index: 1.566
• Boiling Point: 590.1 °C at 760 mmHg
• PKA: 1.46±0.10(Predicted)
• Flash Point: 310.7 °C
• PSA: 158.15000
• Density: 1.706 g/cm³
• LogP: -1.06040
• XLogP3: -5.9
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 263.03237581
• Heavy Atom Count: 15
• Complexity: 283

Purity/Quality:

98%min ^*data from raw suppliers

Olpadronic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O
• Recent EU Clinical Trials: A 24 weeks multicentre, randomized, double-blind, placebo-controlled, parallel group, study to evaluate the efficacy, safety and tolerability of intravenous IG-8801 20 mg and 40 mg in subjects with chronic low back pain
• Uses: Olpadronic acid is used for the preparation of bisphosphonic acid derivatives as anti-osteoporosis

Technology Process of Olpadronic acid

There total 5 articles about Olpadronic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 92.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + pamidronate (40391-99-9) → olpadronate (63132-39-8)

Guidance literature:

With formic acid; for 17h; Heating;

DOI:10.1021/jm020819i

Reference yield:

3-dimethylaminopropionic acid (6300-04-5) → olpadronate (63132-39-8)

Guidance literature:

With phosphonic Acid; phosphorus trichloride; In chlorobenzene;

DOI:10.1007/BF00923879

Reference yield:

1-amino-3-(N,N-dimethylamino)-propylidene-1,1-bisphosphonic acid (63132-38-7) → olpadronate (63132-39-8)

Guidance literature:

upstream raw materials:

3-dimethylaminopropionic acid

formaldehyd

pamidronate

1-amino-3-(N,N-dimethylamino)-propylidene-1,1-bisphosphonic acid

Refernces

• 1、 Ghosh, Subhash,Chan, Julian M. W.,Lea, Christopher R.,Meints, Gary A.,Lewis, Jared C.,Tovian, Zev S.,Flessner, Ryan M.,Loftus, Timothy C.,Bruchhaus, Iris,Kendrick, Howard,Croft, Simon L.,Kemp, Robert G.,Kobayashi, Seike,Nozaki, Tomoyoshi,Oldfield, Eric. "Effects of Bisphosphonates on the Growth of Entamoeba histolytica and Plasmodium Species in Vitro and in Vivo". . p. 175 - 187. Retrieved 2007/10/03.
• 2、 Widler, Leo,Jaeggi, Knut A.,Glatt, Markus,Müller, Klaus,Bachmann, Rolf,Bisping, Michael,Born, Anne-Ruth,Cortesi, Reto,Guiglia, Gabriela,Jeker, Heidi,Klein, Rémy,Ramseier, Ueli,Schmid, Johann,Schreiber, Gerard,Seltenmeyer, Yves,Green, Jonathan R.. "Highly potent geminal bisphosphonates. From pamidronate disodium (Aredia) to zoledronic acid (Zometa)". . p. 3721 - 3738. Retrieved 2007/10/03.