5-{[methyl(prop-2-yn-1-yl)amino]methyl}quinolin-8-ol dihydrochloride

• ChemBase编号: 153254
• 分子式: C14H16Cl2N2O
• 平均质量: 299.19564
• 单一同位素质量: 298.0639685
• SMILES: CN(CC#C)Cc1ccc(c2c1cccn2)O.Cl.Cl
• Canonical SMILES: C#CCN(Cc1ccc(c2c1cccn2)O)C.Cl.Cl
• InChI: InChI=1S/C14H14N2O.2ClH/c1-3-9-16(2)10-11-6-7-13(17)14-12(11)5-4-8-15-14;;/h1,4-8,17H,9-10H2,2H3;2*1H
• InChIKey: XJNICPXVRPOSSO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5-{[methyl(prop-2-yn-1-yl)amino]methyl}quinolin-8-ol dihydrochloride
• IUPAC传统名: 5-{[methyl(prop-2-yn-1-yl)amino]methyl}quinolin-8-ol dihydrochloride
• 别名: 5-[N-methyl-N-propargylaminomethyl]-8-hydroxyquinoline dihydrochloride; M-30 dihydrochloride; VAR10300 dihydrochloride; M30 dihydrochloride

登记号

• CAS号: 64821-19-8
• MDL号: MFCD20488063
• PubChem SID: 162247393
• PubChem CID: 71311622

理论计算性质

• Acid pKa: 8.992044
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -0.8254321
• LogD (pH = 7.4): 0.9211066
• Log P: 1.5016537
• 摩尔折射率: 68.0831 cm^3
• 极化性: 27.237415 Å^3
• 极化表面积: 36.36 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, heptane and xylene: ≥21 mg/mL
• 外观: green-yellow powder

安全信息

• 保存条件: desiccated
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥98% (HPLC)
• Empirical Formula (Hill Notation): C14H14N2O · 2HCl

详细说明

Sigma Aldrich - SML0128

Biochem/physiol Actions
M30 is a site-activated iron chelator and monoamine oxidase (MAO) inhibitor; with neuroprotective and anti-apoptotic activity. It is a multifunctional non-toxic, brain permeable iron chelator possessing a neuroprotective propargylamine moiety and an antioxidant-iron chelator moiety. M30 is a selective irreversible inhibitor of mitochondrial brain monoamine oxidases A and B (MAO-A and -B), providing for improved levels of neurotransmitters. It reduces oxidative damage and shows neuroprotective and neurorestorative effects in various neurodegenerative models of ALS, Alzheimer′s and Parkinson′s diseases, and is being investigated in other diseases where oxidative stress is a problem.