2-aminoethane-1-thiol

• ChemBase编号: 725
• 分子式: C2H7NS
• 平均质量: 77.14868
• 单一同位素质量: 77.02992023
• SMILES: SCCN
• Canonical SMILES: NCCS
• InChI: InChI=1S/C2H7NS/c3-1-2-4/h4H,1-3H2
• InChIKey: UFULAYFCSOUIOV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-aminoethane-1-thiol
• IUPAC传统名: cysteamine
• 商标名: Becaptan; Lambraten; Lambratene; Mecramine; Mercamin; Merkamin; Riacon; Cystavision
• 别名: β-巯基乙胺; 2-巯基乙胺; 2-氨基乙硫醇; 巯基乙胺; 硫化乙醇胺; 半胱胺; β-Mercaptoethylamine; β-MEA; Cysteamine; β-mercaptoethylamine; 2-mercaptoethylamine; mercaptamine; (2-Mercaptoethyl)amine; 2-Amino-1-ethanethiol; 2-Aminoethanethiol; 2-Aminoethyl mercaptan; 2-Mercaptoethanamine; Aminoethyl mercaptan; beta-Aminoethanethiol; beta-MEA; beta-Mercaptoethylamine; Cisteamina; Cysteamide; Cysteamin; Cysteamine bitartrate; Cysteinamine; Decarboxycysteine; Ethanethiolamine; MEA; Mercaptamin; Mercamine; Thioethanolamine; Cysteamine hydrochloride; Cysteamine

登记号

• CAS号: 60-23-1
• EC号: 200-463-0
• MDL号: MFCD00008196
• Beilstein号: 635649
• PubChem SID: 160964188; 24857934; 46507730; 24897366
• PubChem CID: 6058
• CHEBI ID: 17141
• ATC码: A16AA04
• CHEMBL: 602
• Chemspider ID: 5834
• DrugBank ID: DB00847
• KEGG ID: D03634
• 美国药典/FDA物质标识码: 5UX2SD1KE2
• 维基百科标题: Cysteamine

理论计算性质

JChem

• 摩尔折射率: 22.3937 cm^3
• 极化性: 8.998495 Å^3
• 极化表面积: 26.02 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true
• Acid pKa: 9.42294
• 质子受体: 1
• 质子供体: 2
• LogD (pH = 5.5): -3.1991591
• LogD (pH = 7.4): -2.195107
• Log P: -0.41661316

ALOGPS 2.1

• 溶解度: 2.35e+01 g/l
• Log P: 0.01
• LOG S: -0.52

分子性质

理化性质

• 熔点: 95-97 °C
• 疏水性(logP): 0.1

安全信息

• RTECS编号: KJ0175000
• 欧盟危险性物质标志: 有害性(Harmful) (Xn)
• 德国WGK号: 3
• 危险公开号: 22-36/37/38
• 安全公开号: 26-36; S26 S36
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H302-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
• 保存温度: 2-8°C

产品相关信息

• 纯度: ~95%; ≥98.0% (RT)
• 线性分子式: NH2CH2CH2SH

详细说明

DrugBank - DB00847

• Drug Groups: approved; investigational
• Description: A radiation-protective agent that oxidizes in air to form cystamine. It can be given intravenously or orally to treat radiation sickness. The bitartrate has been used for the oral treatment of nephropathic cystinosis. [PubChem]
• Indication: Given intravenously or orally to treat radiation sickness. The bitartrate has been used for the oral treatment of nephropathic cystinosis and cystinurea.
• Pharmacology: People born without the ability to metabolize the amino acid cystine suffer from cystinosis, a rare inherited disorder characterized by the deposition and accumulation of cystine crystals throughout the body. These crystals cause considerable damage, particularly in the kidney. Kidney failure can occur by the age of 10 in untreated patients. Cysteamine prevents the accumulation of cystine crystals and is prescribed to prevent further kidney damage. Cysteamine helps to convert cystine into less harmful chemical forms that can be removed from cells.
• Toxicity: Symptoms of overdose may include convulsions (seizures), increased thirst and unusual tiredness or weakness.
• Affected Organisms: Humans and other mammals
• Distribution: * 156 L
• Clearance: * apparent plasma cl=1.2 L/min
• References: Lukashin BP, Grebeniuk AN: [Comparative study of the radiation-protective effectiveness of low doses of cysteamine, heparin, and naphtizine in experiments on mice] Radiats Biol Radioecol. 2001 May-Jun;41(3):310-2. [Pubmed]
• External Links: Wikipedia; Drugs.com

Sigma Aldrich - M9768

包装
5, 25, 50 g in glass bottle
Other Notes
Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. M9768.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.

参考文献

• Lukashin BP, Grebeniuk AN: [Comparative study of the radiation-protective effectiveness of low doses of cysteamine, heparin, and naphtizine in experiments on mice] Radiats Biol Radioecol. 2001 May-Jun;41(3):310-2. Pubmed