2-(2-sulfanylpropanamido)acetic acid

• ChemBase编号: 134150
• 分子式: C5H9NO3S
• 平均质量: 163.19486
• 单一同位素质量: 163.03031415
• SMILES: CC(C(=O)NCC(=O)O)S
• Canonical SMILES: CC(C(=O)NCC(=O)O)S
• InChI: InChI=1S/C5H9NO3S/c1-3(10)5(9)6-2-4(7)8/h3,10H,2H2,1H3,(H,6,9)(H,7,8)
• InChIKey: YTGJWQPHMWSCST-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(2-sulfanylpropanamido)acetic acid
• IUPAC传统名: tiopronin
• 别名: N-(2-巯基丙酰)-甘氨酸; 硫普罗宁; 硫普罗宁; N-(2-巯基丙酰)-甘氨酸; N-(2-Mercaptopropionyl)glycine; Tiopronin; N-(2-Mercaptopropionyl)glycine; Tiopronin; N-(2-Mercapto-1-oxopropyl)glycine; Acadione; Capen; Captimer; Epatiol; Hepadigest; Meprin; Mucolysin; Sutilan; Thiolpropionamidoacetic Acid; Thiopronin; Thiopronine; Tiopronin; Tiopronin (Thiola)

登记号

• CAS号: 1953-02-2
• EC号: 217-778-4
• MDL号: MFCD00004861
• Beilstein号: 1859822
• PubChem SID: 24897101; 162228427; 24882897; 24860692
• PubChem CID: 5483

理论计算性质

• Acid pKa: 3.8646846
• 质子受体: 3
• 质子供体: 3
• LogD (pH = 5.5): -2.1731064
• LogD (pH = 7.4): -3.7692945
• Log P: -0.53329927
• 摩尔折射率: 37.7703 cm^3
• 极化性: 14.848331 Å^3
• 极化表面积: 66.4 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: DMSO; Methanol
• 外观: White Solid
• 熔点: 78-80°C; 93-98 °C

安全信息

• 保存条件: -20°C Freezer, Under Inert Atmosphere
• RTECS编号: MC0596500
• 欧盟危险性物质标志: 有害性(Harmful) (Xn)
• 德国WGK号: 3
• 危险公开号: 22
• 安全公开号: 36/37
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H302
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

药理学性质

• 作用靶点: Others

产品相关信息

• 纯度: ≥98.0% (RT); 99%
• 级别: purum; VETRANAL™, analytical standard
• 成盐信息: Free Base
• 线性分子式: CH3CH(SH)CONHCH2COOH

详细说明

Sigma Aldrich - M6635

Biochem/physiol Actions
N-(2-Mercaptopropionyl)glycine is a free radical scavenger.

Sigma Aldrich - 63794

Other Notes
Minimizes the effect of the chemical carcinogen DMBA (dimethylbenzanthracene) in regenerating mouse liver1; Significantly stimulates NADPH-dependent lipid peroxidation by rat liver microsomes2

Sigma Aldrich - 33986

法律信息
VETRANAL 商标 Sigma-Aldrich Co. LLC

Toronto Research Chemicals - T444780

It is used as antidote against heavy metal poisoning; hepatoprotectant; mucolytic.

参考文献

• Capasso, F., et al.: Agents Actions, 11, 741 (1981)
• Amor, B., et al.: Arthritis Rheum., 25, 698 (1981)
• Ichida, F., et al.: J. Int. Med. Res., 10, 325 (1981)