5-(2-aminoethyl)-4-methyl-1,3-thiazol-2-amine dihydrobromide

• ChemBase编号: 153853
• 分子式: C6H13Br2N3S
• 平均质量: 319.06052
• 单一同位素质量: 316.91969243
• SMILES: Cc1c(sc(n1)N)CCN.Br.Br
• Canonical SMILES: NCCc1sc(nc1C)N.Br.Br
• InChI: InChI=1S/C6H11N3S.2BrH/c1-4-5(2-3-7)10-6(8)9-4;;/h2-3,7H2,1H3,(H2,8,9);2*1H
• InChIKey: XFXNNOPUDSFVJE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5-(2-aminoethyl)-4-methyl-1,3-thiazol-2-amine dihydrobromide
• IUPAC传统名: amthamine dihydrobromide
• 别名: 2-Amino-4-methyl-5-thiazoleethanamine dihydrobromide; Amthamine dihydrobromide

登记号

• CAS号: 142457-00-9
• MDL号: MFCD00673891
• PubChem SID: 162247992; 24890905
• PubChem CID: 16218912

理论计算性质

• Acid pKa: 17.71391
• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): -2.991876
• LogD (pH = 7.4): -2.0063567
• Log P: 0.16560188
• 摩尔折射率: 43.1545 cm^3
• 极化性: 16.138447 Å^3
• 极化表面积: 64.93 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: H2O: soluble27 mg/mL
• 外观: off-white solid

安全信息

• 德国WGK号: 3
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥98% (HPLC)
• Empirical Formula (Hill Notation): C6H11N3S · 2HBr

详细说明

Sigma Aldrich - A4730

Application
Amthamine dihydrobromide is a histamine H2 receptor agonist. Amthamine dihydrobromide has been used to study the effect of mast cells on T regulatory cell function.
Biochem/physiol Actions
Amthamine dihydrobromide is a H2 histamine receptor agonist. Amthamine dihydrobromide, similar to histamine, inhibits H2 receptor-mediated eosinophil peroxidase (EPO) release with IC50 = 0.4 μM; a weak antagonist at H3 and shows no activity at H1 receptors.