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

• ChemBase编号: 104441
• 分子式: C11H8N2
• 平均质量: 168.19462
• 单一同位素质量: 168.06874827
• SMILES: [nH]1c2c(cccc2)c2ccncc12
• Canonical SMILES: c1ccc2c(c1)[nH]c1c2ccnc1
• InChI: InChI=1S/C11H8N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-7,13H
• InChIKey: AIFRHYZBTHREPW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 9H-pyrido[3,4-b]indole
• IUPAC传统名: 9H-pyrido[3,4-b]indole; β-carboline
• 别名: β-咔啉; 9H-吡啶并[3,4-b]吲哚; 去甲哈尔满; 2,9-Diazafluorene; 2-Azacarbazole; Carbazoline; Norharma; NSC 84417; Nor Harmane; β-Carboline; Norharmane; Norharman; 2-Carboline; 9H-pyrido[3,4-b]indole; Beta-Carboline; 9H-Pyrido[3,4-b]indole; β Carboline; NORHARMANE

登记号

• CAS号: 244-63-3
• EC号: 205-959-0
• MDL号: MFCD00004956
• PubChem SID: 24897776; 162092216
• PubChem CID: 64961
• CHEBI ID: 109895
• CHEMBL: 275224
• Chemspider ID: 58486
• 医学主题词(MeSH): norharman
• 维基百科标题: Beta-Carboline

理论计算性质

• Acid pKa: 13.223871
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 1.6932329
• LogD (pH = 7.4): 1.8702409
• Log P: 1.8732133
• 摩尔折射率: 51.3153 cm^3
• 极化性: 22.352045 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: Dimethyl Sulfoxide; Ethyl Acetate
• 外观: light yellow crystalline; Off-White Solid
• 熔点: 203-205°C

安全信息

• 保存条件: 2-8°C; Refrigerator
• RTECS编号: UU9350000
• 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 ... IKBKB(3551)rat ... Gabra2(29706)
• 生物活性机理: Sympatholytic-alpha

产品相关信息

• 纯度: 98%
• 生物来源: Alkaloid from Chrysophyllum lacourtianum, Nocardia sp. and Streptomyces sp., also present in tobacco smoke, Catharanthus roseus leaves, Lolium perenne and Festuca arundinacea (Sapotaceae, Apocynaceae, Gramineae). A metab. from the New Zealand ascidian Ritterella sigillinoides
• 应用领域: Plant growth and enzyme inhibitor
• Empirical Formula (Hill Notation): C11H8N2

详细说明

MP Biomedicals - 02155951

(9H-Pyrido[3,4-b]indole; β Carboline) Free Base Light yellow crystals.

Sigma Aldrich - N6252

Application
Used as matrix for analysis of cyclodextrins and for sulfated oligosaccharides in combination with DHB as co-matrix.
Biochem/physiol Actions
吲哚胺 2,3-双加氧酶 (IDO) 的抑制剂。
Protocols & Applications
Methods of glycosylated protein analysis by Mass Spectrometry

Sigma Aldrich - N33101

Biochem/physiol Actions
吲哚胺 2,3-双加氧酶 (IDO) 的抑制剂。

Toronto Research Chemicals - N700000

The compund has cytotoxic effects.

参考文献

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