sodium 2-sulfanylethane-1-sulfonate

• ChemBase编号: 103390
• 分子式: C2H5NaO3S2
• 平均质量: 164.17907
• 单一同位素质量: 163.9577803
• SMILES: [Na+].[O-]S(=O)(=O)CCS
• 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: potassium 2-sulfanylethanesulfonate; sodium 2-mercaptoethanesulfonate
• 别名: 2-巯基乙磺酸 钠盐; 辅酶 M 钠盐; 2-巯基乙烷磺酸钠; sodium 2-sulfanylethane-1-sulfonate; 2-Mercapto-1-ethanesulfonic Acid Monosodium Salt; D 7093; Mesnex; Mistabron; Mistabronco; Mucofluid; UCB 3983; Uromitexan; Mesna; 2-Mercaptoethanesulfonic acid sodium salt; HS-CoM Na; Sodium 2-mercaptoethanesulfonate; Mesna; Coenzyme M sodium salt; Sodium 2-mercaptoethanesulfonate; 2-MERCAPTOETHANE SULFONIC ACID; sodium 2-mercaptoethanesulfonate

登记号

• CAS号: 19767-45-4
• EC号: 243-285-9
• MDL号: MFCD00007535
• Beilstein号: 3657828
• PubChem SID: 24896659; 162090377; 24882823
• PubChem CID: 23662354

理论计算性质

• Acid pKa: -1.1570375
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -2.7792103
• LogD (pH = 7.4): -2.7799933
• Log P: -0.40282443
• 摩尔折射率: 28.0085 cm^3
• 极化性: 12.130931 Å^3
• 极化表面积: 57.2 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 to Off-White Solid
• 熔点: >240°C dec.; 274 - 276°C
• 疏水性(logP): -1.064

安全信息

• 保存条件: -20°C Freezer, Under Inert Atmosphere; Room Temperature (15-30°C)
• RTECS编号: KI7968000
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 2
• 危险公开号: 36/37/38
• 安全公开号: 26-36
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: ≥98.0% (RT); ≥98.0% (titration); 95%
• 成盐信息: Na+
• 痕量阳离子: Ca: ≤150 mg/kg; Cd: ≤5 mg/kg; Co: ≤5 mg/kg; Cr: ≤5 mg/kg; Cu: ≤5 mg/kg; Fe: ≤5 mg/kg; K: ≤50 mg/kg; Mg: ≤5 mg/kg; Mn: ≤5 mg/kg; Ni: ≤5 mg/kg; Pb: ≤5 mg/kg; Zn: ≤5 mg/kg
• 干燥失重: ≤1% loss on drying, 20 °C (HV)
• 产品线: BioXtra
• 线性分子式: HSCH2CH2SO3Na

详细说明

MP Biomedicals - 02151602

Thermally stable acidic cofactor. Sodium Salt One of the simplest and smallest coenzymes known. Cofactor in the methyl transfer reaction of methanobacterium. Also acts as a water-soluble disulfide reducing agent

Sigma Aldrich - 63705

Other Notes
Biosynthesis of coenzyme M1

Sigma Aldrich - M1511

包装
5, 10, 25 g in poly bottle

Toronto Research Chemicals - M225750

Mesna reacts with acrolein and other urotoxic metabolites of oxazaphosphorines (cyclophosphamide or ifosfamide) to form stable, non-urotoxic compounds. Mesna does not have any antitumour activity, nor does it appear to interfere with the antitumour activi

参考文献

• Tekeres, M., et al.: Clin. Ther., 4, 56 (1981)
• Brock, N., et al.: Eur. J. Cancer Clin Oncol., 18, 1377 (1981)
• James, C.A., et al.: Br. J. Clin. Pharmacol., 23, 561 (1981)
• Schoenike, S.E., et al.: Clin. Pharm., 9, 179 (1981)