disodium hydrogen (3-amino-1-hydrogen phosphonato-1-hydroxypropyl)phosphonate

• ChemBase编号: 72620
• 分子式: C3H9NNa2O7P2
• 平均质量: 279.033122
• 单一同位素质量: 278.96496346
• SMILES: C(O)(P(=O)([O-])O)(CCN)P(=O)([O-])O.[Na+].[Na+]
• Canonical SMILES: NCCC(P(=O)(O)[O-])(P(=O)(O)[O-])O.[Na+].[Na+]
• InChI: InChI=1S/C3H11NO7P2.2Na/c4-2-1-3(5,12(6,7)8)13(9,10)11;;/h5H,1-2,4H2,(H2,6,7,8)(H2,9,10,11);;/q;2*+1/p-2
• InChIKey: CEYUIFJWVHOCPP-UHFFFAOYSA-L

名称和登记号

名称

• IUPAC标准名: disodium hydrogen (3-amino-1-hydrogen phosphonato-1-hydroxypropyl)phosphonate
• IUPAC传统名: disodium hydrogen 3-amino-1-hydrogen phosphonato-1-hydroxypropylphosphonate
• 别名: Aredia; Pamidronate Disodium; (3-Amino-1-hydroxypropylidene)bisphosphonic Acid Disodium; Pamidronate Disodium; GCP-23339A; Aminomux; Pamidronic Acid Sodium Salt Hydrate

登记号

• CAS号: 57248-88-1
• PubChem SID: 162037545
• PubChem CID: 73351

理论计算性质

• Acid pKa: 0.6686214
• 质子受体: 8
• 质子供体: 4
• LogD (pH = 5.5): -6.578678
• LogD (pH = 7.4): -6.911782
• Log P: -4.536483
• 摩尔折射率: 40.3754 cm^3
• 极化性: 17.1839 Å^3
• 极化表面积: 166.97 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Water
• 外观: White Solid
• 熔点: 254-262°C (dec.)

安全信息

• 保存条件: -20°C; Hygroscopic, -20°C Freezer, Under inert atmosphere

产品相关信息

• 成盐信息: Sodium Salt

详细说明

Selleck Chemicals - S1311

Research Area: Endocrinology
Biological Activity:
Pamidronate disodium is a nitrogen containing bisphosphonate, used to prevent osteoporosis. It is used to prevent bone loss, and treat osteoporosis. [1]

Toronto Research Chemicals - P172500

A bisphosphonate antiresorptive agent; bone resorption inhibitor.

参考文献

• http://en.wikipedia.org/wiki/Pamidronate
• Coukell, A.J., et al.: Drugs Aging, 12, 149 (1998)
• McTavish, D., et al.: Drugs, 41, 289 (1998)
• Sissons, C.H., et al.: Oral Microbiol. Immunol., 15, 317 (1998)
• Chen, J.X., et al.: J. Cell Physiol., 186, 116 (1998)