N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine hydrochloride

• ChemBase编号: 73032
• 分子式: C9H10Cl3N3
• 平均质量: 266.5548
• 单一同位素质量: 264.99403038
• SMILES: c1ccc(c(c1Cl)NC1=NCCN1)Cl.Cl
• Canonical SMILES: Clc1cccc(c1NC1=NCCN1)Cl.Cl
• InChI: InChI=1S/C9H9Cl2N3.ClH/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9;/h1-3H,4-5H2,(H2,12,13,14);1H
• InChIKey: ZNIFSRGNXRYGHF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine hydrochloride
• IUPAC传统名: clonidine hydrochloride
• 别名: [2-(2,6-二氯苯基)亚氨基]咪唑烷 盐酸盐; 可乐定 盐酸盐; Catapres; Clonidine hydrochloride; Clonidine hydrochloride; 2-(2,6-Dichloroanilino)-2-imidazoline hydrochloride; N-(2,6-Dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine Hydrochloride; Atensina; Capresin; Haemiton; Hemiton; Isoglaucon; Katapresan; Neuclon; Normopresan; ST 155; N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine hydrochloride; 2-(2,6-dichloroanilino)-2-imidazoline hydrochloride

登记号

• CAS号: 4205-91-8
• EC号: 224-119-4; 224-121-5
• MDL号: MFCD00036705
• Beilstein号: 4163525
• PubChem SID: 24277750; 162037952
• PubChem CID: 20179

理论计算性质

• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): 0.26298487
• LogD (pH = 7.4): 1.6616611
• Log P: 2.4850886
• 摩尔折射率: 59.0888 cm^3
• 极化性: 21.926537 Å^3
• 极化表面积: 36.42 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: DMSO; H2O: soluble; H2O: soluble50 mg/mL, clear, colorless; Methanol; methanol: soluble
• 外观: white solid; White Solid
• 熔点: 130°C; 305°C
• 疏水性(logP): 1.727

安全信息

• 保存条件: -20°C; 2-8°C; Hygroscopic, -20°C Freezer, Under Inert Atmosphere
• RTECS编号: NJ2487000; NJ2490000
• 欧盟危险性物质标志: 有毒(Toxic) (T); 剧毒(Highly toxic) (T+)
• 联合国危险货物编号: 2811
• 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): 1; III
• 澳大利亚Hazchem: 2X
• 危险公开号: 25-26; R:25
• 安全公开号: 22-26-28-36/37/39-45; 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: 154
• GHS危险品标识: GHS06
• GHS警示词: Danger
• GHS危险声明: H301-H330
• GHS警示性声明: P260-P284-P301 + P310-P310
• 个人保护装置: 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 2811 6.1/PG 1
• 保存温度: 2-8°C

药理学性质

• 相关基因信息: human ... ADRA2A(150), ADRA2B(151), ADRA2C(152)

产品相关信息

• 纯度: ≥98.0% (TLC); 95%; 97%
• 成盐信息: hydrochloride
• 杂质: ≤1% water
• Empirical Formula (Hill Notation): C9H9Cl2N3 · HCl

详细说明

MP Biomedicals - 02190175

Hydrochloride
(2-(2,6-Dichloroaniline)-2-imidazoline)
Antihypertensive, α₂ -adrenoceptor agonist and imidazoline receptor ligand.

Selleck Chemicals - S2458

Research Area: Cardiovascular Disease
Biological Activity:
Clonidine hydrochloride(Catapres) is a direct-acting α2 adrenergic agonist with an ED50 of 0.02±0.01 mg/kg. [1] It treats high blood pressure by stimulating α2 receptors in the brain, which decreases cardiac output and peripheral vascular resistance, lowering blood pressure. It has specificity towards the presynaptic α2 receptors in the vasomotor center in the brainstem. This binding decreases presynaptic calcium levels, and inhibits the release of norepinephrine (NE). The net effect is a decrease in sympathetic tone. [2]

Sigma Aldrich - C7897

Biochem/physiol Actions
α2-adrenoceptor agonist; I1 imidazoline binding site ligand.

Sigma Aldrich - 27545

Other Notes
Interacts with α-adrenergic receptors1

Toronto Research Chemicals - C587130

Labelled Clonidine. α2-Adrenergic agonist. Antihypertensive; analgesic for neuropathic pain.

参考文献

• http://en.wikipedia.org/wiki/Clonidine
• Roach, A.G., et al.: J. Pharmacol. Exp. Ther., 227, 421 (1983)
• Glassman, A.H., et al.: Science, 226, 864 (1983)
• Abounassif, A.M., et al.: Anal. Profiles Drug Subs. Excip., 21, 109 (1983)