pyridin-4-amine

• ChemBase编号: 90092
• 分子式: C5H6N2
• 平均质量: 94.11454
• 单一同位素质量: 94.0530982
• SMILES: n1ccc(cc1)N
• Canonical SMILES: Nc1ccncc1
• InChI: InChI=1S/C5H6N2/c6-5-1-3-7-4-2-5/h1-4H,(H2,6,7)
• InChIKey: NUKYPUAOHBNCPY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: pyridin-4-amine
• IUPAC传统名: 4 aminopyridine
• 别名: 4-吡啶胺; 对氨基吡啶; 氨吡啶; 4-氨基吡啶; pyridin-4-amine; 4-pyridinamine; 4-Pyridylamine; 4-Aminopyridine; 4-Pyridinylamine; Ampyra; Avitrol; EL 970; NSC 15041; Neurelan; Phillips 1861; Pyridine-4-ylamine; VMI 10-3; p-Aminopyridine; γ-Aminopyridine; Dalfampridine; Pyridin-4-amine; 4-Aminopyridine 98%; 4AP; 4-Aminopyridine; Amino-4-Pyridine; gamma-Aminopyridine; 4-Pyridinamine, 4-Pyridylamine; Fampridine; 4-AMINOPYRIDINE

登记号

• CAS号: 504-24-5
• EC号: 207-987-9
• MDL号: MFCD00006439
• Beilstein号: 105782
• 默克索引号: 143933
• PubChem SID: 24856677; 24891285; 162076947; 24862717
• PubChem CID: 1727
• CHEBI ID: 34385
• ATC码: N07XX07
• CHEMBL: 284348
• Chemspider ID: 1664
• IUPHAR配体索引: 2416
• KEGG ID: D04127
• 医学主题词(MeSH): 4-Aminopyridine
• 美国药典/FDA物质标识码: BH3B64OKL9
• 维基百科标题: 4-Aminopyridine

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -1.0573177
• LogD (pH = 7.4): -0.96570987
• Log P: -0.07335257
• 摩尔折射率: 28.6015 cm^3
• 极化性: 10.5638485 Å^3
• 极化表面积: 38.91 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: polar organic solvents
• 外观: colourless solid
• 熔点: 155-158 °C; 155-158 °C(lit.); 155-158°C; 157-161°C; 158°C; 158-160 °C
• 沸点: 273 °C(lit.); 273°C; 273-274°C
• 闪点: 164°C(327°F)
• 密度: 1.26

安全信息

• 保存条件: Room Temperature (15-30°C)
• 保存注意事项: Very Toxic/Store under Argon
• RTECS编号: US1750000
• 欧盟危险性物质标志: 环境危害性(Nature polluting) (N); 剧毒(Highly toxic) (T+)
• 联合国危险货物编号: 2671; UN2671
• 德国WGK号: 3
• 联合国危险货物等级: 6.1
• 联合国危险货物包装类别(PG): 2; II
• 澳大利亚Hazchem: 2X
• 危险公开号: 24-28-36/37/38-51/53; 28-36/37/38; R:28
• 安全公开号: 26-28-36/37-45-61; 26-36/37/39-45; S:28-29-36/37/39-45
• 欧盟危险货物分类: T2
• 欧盟危险识别号(EUHIN): 6.1B
• 美国ERG指导号: 153
• TSCA收录: 是
• GHS危险品标识: GHS06; GHS09
• GHS警示词: Danger
• GHS危险声明: H300-H311-H315-H319-H335-H411-H401; H300-H315-H319-H335
• GHS警示性声明: P261-P264-P301 + P310-P305 + P351 + P338; P280H-P273-P270-P301+P310-P305+P351+P338-P302+P352
• 个人保护装置: dust mask type N95 (US), Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges; Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 2671 6.1/PG 2

药理学性质

• 给药途径: Oral
• 生物利用度: 96%
• 法定药品分级: Rx-only (US)
• 妊娠期药物分类: C (US)
• 相关基因信息: mouse ... Kcna3(16491)rat ... Grin2a(24409)

产品相关信息

• 纯度: ~98%; ≥98.0% (NT); ≥99%; 98%
• 级别: PESTANAL®, analytical standard; purum
• Empirical Formula (Hill Notation): C5H6N2

详细说明

MP Biomedicals - 02150366

Purity: ~98%
Pink to red crystals

MP Biomedicals - 05213134

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 275875

包装
1, 5 g in glass bottle

Sigma Aldrich - A78403

包装
25, 100 g in poly bottle

Sigma Aldrich - 36687

法律信息
PESTANAL 注册商标 Sigma-Aldrich Laborchemikalien GmbH

Toronto Research Chemicals - D113500

Dalfampridine is used in characterizing subtypes of potassium channel, and has also been used to manage some of the symptoms of multiple sclerosis, and is indicated for symptomatic improvement of walking in adults with several variations of the disease. D

参考文献

• Judge S., et al.: Pharmacol. Ther., 111, 224 (2006)
• Wu, Z.Z., et al.: J. Biol. Chem., 284. 36453 (2006)