methyl[(2R)-1-phenylpropan-2-yl](prop-2-yn-1-yl)amine hydrochloride

• ChemBase编号: 72814
• 分子式: C13H18ClN
• 平均质量: 223.74172
• 单一同位素质量: 223.11277726
• SMILES: c1cccc(c1)C[C@H](N(CC#C)C)C.Cl
• Canonical SMILES: C[C@@H](N(CC#C)C)Cc1ccccc1.Cl
• InChI: InChI=1S/C13H17N.ClH/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13;/h1,5-9,12H,10-11H2,2-3H3;1H/t12-;/m1./s1
• InChIKey: IYETZZCWLLUHIJ-UTONKHPSSA-N

名称和登记号

名称

• IUPAC标准名: methyl[(2R)-1-phenylpropan-2-yl](prop-2-yn-1-yl)amine hydrochloride
• IUPAC传统名: selegiline hydrochloride; methyl[(2R)-1-phenylpropan-2-yl](prop-2-yn-1-yl)amine hydrochloride
• 别名: (αR)-N,α-Dimethyl-N-2-propyn-1-yl-benzeneethanamine Hydrochloride; L-(-)-N,α-Dimethyl-N-2-propynylphenethylamine Hydrochloride; Antiparkin; Amindan; Selegiline; L-Deprenyl Hydrochloride; R-(-)-Deprenyl Hydrochloride; Eldepryl; L-Deprenyl; Zelapar; Anipryl; Selegiline hydrochloride; (R)-(-)-N,α-Dimethyl-N-(2-propynyl)phenethylamine hydrochloride; R(-)-N-α-Dimethyl-N-2-propynyl-benzeneethanamine hydrochloride; Selegiline hydrochloride; R-(-)-Deprenyl hydrochloride; Jumex; Tumex; Selegiline Hydrochloride

登记号

• CAS号: 14611-52-0
• MDL号: MFCD00069299
• PubChem SID: 24278577; 162037735
• PubChem CID: 26758

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): -0.15821154
• LogD (pH = 7.4): 1.5548966
• Log P: 2.847962
• 摩尔折射率: 61.3547 cm^3
• 极化性: 23.641752 Å^3
• 极化表面积: 3.24 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Chloroform; Ethanol; H2O: >10 mg/mL; Methanol; Water
• 外观: white powder; White Solid
• 熔点: 142-144°C
• 比旋光度: [α]25/D -10.8°, c = 6.48 in H2O(lit.)

安全信息

• 保存条件: -20°C; -20°C Freezer
• RTECS编号: DA0292500
• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

药理学性质

• 相关基因信息: human ... MAOB(4129)
• 生物活性机理: Monoamine oxidase (type B) inhibitor

产品相关信息

• 纯度: ≥98% (HPLC)
• 成盐信息: HCl; hydrochloride
• 应用领域: Anorexic agent; Antiparkinsonian drug

详细说明

Selleck Chemicals - S1873

Research Area: Neurological Disease
Biological Activity:
Selegiline (Zelapar) is a selective, irreversible inhibitor of Type B monoamine oxidase used in newly diagnosed patients with Parkinson’s disease. It may slow progression of the clinical disease and delay the requirement for levodopa therapy. It also may be given with levodopa upon onset of disability. The compound without isomeric designation is Deprenyl. [1]

Sigma Aldrich - M003

Biochem/physiol Actions
Selective MAO-B inhibitor; anti-Parkinsonian agent.

Toronto Research Chemicals - D288641

Monoamine oxidase-B inhibitor related structurally to Pargyline. Used to alleviate the symptonms of Parkinsons disease.

参考文献

• http://www.drugbank.ca/drugs/DB01037
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