(6S)-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine dihydrochloride

• ChemBase编号: 154951
• 分子式: C10H19Cl2N3S
• 平均质量: 284.24896
• 单一同位素质量: 283.06767398
• SMILES: CCCN[C@H]1CCc2c(sc(n2)N)C1.Cl.Cl
• Canonical SMILES: CCCN[C@H]1CCc2c(C1)sc(n2)N.Cl.Cl
• InChI: InChI=1S/C10H17N3S.2ClH/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8;;/h7,12H,2-6H2,1H3,(H2,11,13);2*1H/t7-;;/m0../s1
• InChIKey: QMNWXHSYPXQFSK-KLXURFKVSA-N

名称和登记号

名称

• IUPAC标准名: (6S)-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine dihydrochloride
• IUPAC传统名: pramipexole dihydrochloride
• 别名: (S)-2-amino-4,5,6,7-tetrahydro-6-(propylamino)benzothiazole dihydrochloride; PPX dihydrochloride; Pramipexole dihydrochloride

登记号

• CAS号: 191217-81-9
• MDL号: MFCD00876894
• PubChem SID: 162249089
• PubChem CID: 119569

理论计算性质

• Acid pKa: 17.661047
• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): -1.5217185
• LogD (pH = 7.4): -0.98125774
• Log P: 1.7642827
• 摩尔折射率: 59.7672 cm^3
• 极化性: 22.761166 Å^3
• 极化表面积: 50.94 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: H2O: >20 mg/mL
• 外观: white to off-white powder

安全信息

• 保存条件: desiccated
• 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): C10H17N3S · 2HCl

详细说明

Sigma Aldrich - A1237

Biochem/physiol Actions
Pramipexole is a dopamine agonist active at D3 and D2 receptor subtypes. Pramipexole has been found to have neuroprotective effects independent of its dopamine receptor agonism. It reduces mitochondrial reactive oxygen species (ROS) production and inhibits the activation of apoptotic pathways.