sodium 2-sulfanylethane-1-sulfonate

• ChemBase编号: 72794
• 分子式: C2H5NaO3S2
• 平均质量: 164.17907
• 单一同位素质量: 163.9577803
• SMILES: SCCS(=O)(=O)O[Na]
• Canonical SMILES: SCCS(=O)(=O)O[Na]
• InChI: InChI=1S/C2H6O3S2.Na/c3-7(4,5)2-1-6;/h6H,1-2H2,(H,3,4,5);/q;+1/p-1
• InChIKey: XOGTZOOQQBDUSI-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: sodium 2-sulfanylethane-1-sulfonate
• IUPAC传统名: mesna
• 别名: Uromitexan; Mesnex; Mesna

登记号

• CAS号: 19767-45-4
• PubChem SID: 162037715
• PubChem CID: 23662354

理论计算性质

• Acid pKa: 10.021164
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 0.13918817
• LogD (pH = 7.4): 0.13826104
• Log P: 0.1392
• 摩尔折射率: 27.9158 cm^3
• 极化性: 14.144377 Å^3
• 极化表面积: 43.37 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

安全信息

• 保存条件: -20°C

产品相关信息

• 成盐信息: Free Base

详细说明

Selleck Chemicals - S1735

Research Area: Cancer
Biological Activity:
Mesna(Uromitexan, Mesnex), a sulfhydryl compound that is used to reduce the incidence of hemorrhagic cystitis associated with certain chemotherapeutic agents. Mesna is converted to a free thiol compound in the kidney, where it binds to and inactivates acrolein and other urotoxic metabolites of ifosfamide and cyclophosphamide, thereby reducing their toxic effects on the urinary tract during urinary excretion. [1, 2]

参考文献

• http://en.wikipedia.org/wiki/Mesna