N-[2-(1H-indol-3-yl)ethyl]acetamide

• ChemBase编号: 105297
• 分子式: C12H14N2O
• 平均质量: 202.25236
• 单一同位素质量: 202.11061308
• SMILES: CC(=O)NCCc1c[nH]c2c1cccc2
• Canonical SMILES: CC(=O)NCCc1c[nH]c2c1cccc2
• InChI: InChI=1S/C12H14N2O/c1-9(15)13-7-6-10-8-14-12-5-3-2-4-11(10)12/h2-5,8,14H,6-7H2,1H3,(H,13,15)
• InChIKey: NVUGEQAEQJTCIX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[2-(1H-indol-3-yl)ethyl]acetamide
• IUPAC传统名: N-[2-(1H-indol-3-yl)ethyl]acetamide; N-acetyltryptamine
• 别名: 3-(2-N-Acetylaminoethyl)indole; N-Acetyltryptamine; N-ACETYLTRYPTAMINE

登记号

• CAS号: 1016-47-3
• MDL号: MFCD00209910
• PubChem SID: 162093335; 24278235
• PubChem CID: 70547

理论计算性质

• Acid pKa: 15.897049
• 质子受体: 1
• 质子供体: 2
• LogD (pH = 5.5): 1.3052839
• LogD (pH = 7.4): 1.305284
• Log P: 1.305284
• 摩尔折射率: 59.8167 cm^3
• 极化性: 24.133804 Å^3
• 极化表面积: 44.89 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: alcohol: soluble
• 外观: powder

安全信息

• 保存条件: 2-8°C, Desiccate
• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: 2-8°C

药理学性质

• 相关基因信息: human ... MTNR1A(4543), MTNR1B(4544)
• 生物活性机理: Antioxidant; Melatonin partial agonist (MT1/MT2); MT3 antagonist

产品相关信息

• 生物来源: Alkaloid from leaves of Prosopis nigra (Leguminosae)
• 应用领域: Antioxidant; Regulator of triptamine-serotonine dependent disorders

详细说明

MP Biomedicals - 02159685

Useful in determination of serotonin N-acetyl transferase

Sigma Aldrich - A7342

Biochem/physiol Actions
Mixed agonist-antagonist at melatonin receptors; antioxidant.

参考文献

• Dubocovich (1985) Characterization of a retinal melatonin receptor. J.Pharmacol.Exp.Ther. 234 395. Dubocovich (1988) Luzindole (NO 774):
• a novel melatonin receptor antagonist. J.Pharmacol.Exp.Ther. 246 902.