platinum(2+) ion diamine cyclobutane-1,1-dicarboxylate

• ChemBase编号: 163672
• 分子式: C6H12N2O4Pt
• 平均质量: 371.24848
• 单一同位素质量: 371.04449787
• SMILES: C1(C(=O)[O-])(C(=O)[O-])CCC1.[Pt+2].N.N
• Canonical SMILES: [O-]C(=O)C1(CCC1)C(=O)[O-].N.N.[Pt+2]
• InChI: InChI=1S/C6H8O4.2H3N.Pt/c7-4(8)6(5(9)10)2-1-3-6;;;/h1-3H2,(H,7,8)(H,9,10);2*1H3;/q;;;+2/p-2
• InChIKey: OLESAACUTLOWQZ-UHFFFAOYSA-L

名称和登记号

名称

• IUPAC标准名: platinum(2+) ion diamine cyclobutane-1,1-dicarboxylate
• IUPAC传统名: platinum(2+) ion diamine cyclobutane-1,1-dicarboxylate
• 别名: (SP-4-2)-Diamimine[1,1-cyclobutanedi(carboxylato-kO)(2-)]platinum; cis-Diammine(1,1-cyclobutanedicarboxylato)platinum(II); CBDCA; JM-8; Paraplatin; Carboplatin

登记号

• CAS号: 41575-94-4
• PubChem SID: 162257807
• PubChem CID: 10339178

理论计算性质

• Acid pKa: 2.4844167
• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): -2.2158532
• LogD (pH = 7.4): -3.900152
• Log P: 0.74872607
• 摩尔折射率: 52.5363 cm^3
• 极化性: 12.045686 Å^3
• 极化表面积: 80.26 Å^2
• 可自由旋转的化学键: 2
• 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: 228-230°C

安全信息

• 保存条件: -20°C Freezer

详细说明

Toronto Research Chemicals - C177500

Analog of Cisplatin with reduced nephrotoxicity. Antineoplastic.

参考文献

• Harland, S.J., et al.: Cancer Res., 44, 1693 (1984)
• Smith, I.E., et al.: Cancer Treat. Rep., 69, 43 (1984)
• Lygidakis, N.J., et al.: Interferon Cytokine Res., 15, 467 (1984)