sodium 2-propylpentanoate

• ChemBase编号: 72552
• 分子式: C8H15NaO2
• 平均质量: 166.19327
• 单一同位素质量: 166.096974
• SMILES: CCCC(C(=O)O[Na])CCC
• Canonical SMILES: CCCC(C(=O)O[Na])CCC
• InChI: InChI=1S/C8H16O2.Na/c1-3-5-7(6-4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);/q;+1/p-1
• InChIKey: AEQFSUDEHCCHBT-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: sodium 2-propylpentanoate
• IUPAC传统名: sodium valproate
• 别名: valproate Sodium; Sodium valproate

登记号

• CAS号: 1069-66-5
• PubChem SID: 162037477
• PubChem CID: 16760703

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 2.9191
• LogD (pH = 7.4): 2.9191
• Log P: 2.9191
• 摩尔折射率: 39.3215 cm^3
• 极化性: 17.879791 Å^3
• 极化表面积: 26.3 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

分子性质

安全信息

• 保存条件: -20°C

药理学性质

• 作用靶点: HDAC

产品相关信息

• 成盐信息: Sodium salt

详细说明

Selleck Chemicals - S1168

Research Area: Neurological Disease
Biological Activity:
Valproic acid sodium salt (Sodium valproate) is a histone deacetylase inhibitor with an IC50 of 0.4 mM and exhibits anticancer, anti-inflammatory and neuroprotective effects. Sodium valproate (VPA) can inhibit the proliferation of tumor cells by inducing G0/G1 phase arrest and cell apoptosis. It displays anticonvulsive activity via an increase in GABA levels and decreases Aβ production in animal models of Alzheimer’s disease. It also attenuates NMDA-mediated excitation, blocks voltage-gated Na+ channels and modulates firing of neurons. It enables induction of pluripotent stem cells from somatic cells by Oct4 and Sox2. [1][2][3]References on Valproic acid sodium salt (Sodium valproate)[3] J. Exp. Med, 2008, 205:2781-2789

参考文献

• http://en.wikipedia.org/wiki/Sodium_valproate