1-methyl-9H-pyrido[3,4-b]indole

• ChemBase编号: 37475
• 分子式: C12H10N2
• 平均质量: 182.2212
• 单一同位素质量: 182.08439833
• SMILES: c1ccc2c(c1)c1c([nH]2)c(ncc1)C
• Canonical SMILES: Cc1nccc2c1[nH]c1c2cccc1
• InChI: InChI=1S/C12H10N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-7,14H,1H3
• InChIKey: PSFDQSOCUJVVGF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-methyl-9H-pyrido[3,4-b]indole
• IUPAC传统名: harmane; 1-methyl-9H-pyrido[3,4-b]indole
• 别名: 1-甲基-9H-吡啶并[3,4-b]吲哚; 2-甲基-β-咔啉; 阿锐碱; 哈尔满碱; 1-Methyl-9H-beta-carboline; ARIBINE; 3-Methyl-4-carboline; Loturine; Passiflorin; Harman; Harman; 1-Methyl-9H-pyrido[3,4-b]indole; 2-Methyl-β-carboline; Aribine; Harmane

登记号

• CAS号: 486-84-0
• EC号: 207-642-2
• MDL号: MFCD00004957
• Beilstein号: 143898
• PubChem SID: 161000782; 24873706; 24846602
• PubChem CID: 5281404

理论计算性质

• Acid pKa: 13.718027
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 1.4493957
• LogD (pH = 7.4): 1.9892261
• Log P: 2.0045834
• 摩尔折射率: 55.9068 cm^3
• 极化性: 24.108831 Å^3
• 极化表面积: 28.68 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Dilute Aqueous Acid
• 外观: Off-White to Pale Brown Solid; Powder
• 熔点: 229-230°C; 235-238 °C(lit.); 236-238 °C

安全信息

• 保存条件: Refrigerator
• 保存注意事项: IRRITANT
• RTECS编号: UV0280000
• 德国WGK号: 3
• TSCA收录: false
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 毒品管制信息: stupéfiant

药理学性质

• 相关基因信息: human ... CYP2D6(1565)rat ... Gabra2(29706); rat ... Gabra2(29706)
• 生物活性机理: GABA-ergic effects; Inhibitor of serotonergic dorsal raphe neurons

产品相关信息

• 纯度: ≥98.0% (NT); 98%
• 级别: purum
• 生物来源: Alkaloid from Arariba rubra (Rubiaceae), Passiflora incarnata (Passifloraceae) and many other Passiflora spp., and a wide range of spp. in several families. Also present in tobacco smoke. Prod. by Nocardia sp. and Streptomyces sp.
• 应用领域: Cytotoxic intercalating agent; Hallucinogen; Sedative
• Empirical Formula (Hill Notation): C12H10N2

详细说明

MP Biomedicals - 05201596

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 103276

Application
用作环糊精分析的基质以及与 DHB 一起作为共基质用于硫酸寡糖的分析。
Biochem/physiol Actions
I1 咪唑啉结合位点激动剂。
包装
1 g in glass bottle
Protocols & Applications
Methods of glycosylated protein analysis by Mass Spectrometry

Sigma Aldrich - 51370

Biochem/physiol Actions
I1 咪唑啉结合位点激动剂。

Toronto Research Chemicals - H105000

Harman alkaloid like harmane, harmine, harmalol, harmaline obtained from Banisteriopsis caapi L. showed cytotoxicity, antimicrobial activity against Staphylococcus aureus, Escherichia coli, Proteus vulgaris and Candida albicans.

参考文献

• Sigg, E.B., et al.: Arch. Int. Pharmacodyn., 149, 164 (1964)
• Saano, V., et al.: Acta Pharmacol. Toxicol., 51, 300 (1964)
• Tse, S., et al.: Biochem. Pharmacol., 42, 459 (1964)
• Rommelspacher, H., et al.: Eur. J. Pharmacol., 252, 51 (1964)
• Louis, E., et a