4-[(4-chlorophenyl)methyl]-2-(1-methylazepan-4-yl)-1,2-dihydrophthalazin-1-one hydrochloride

• ChemBase编号: 72741
• 分子式: C22H25Cl2N3O
• 平均质量: 418.3594
• 单一同位素质量: 417.1374678
• SMILES: c1ccc2c(c1)c(=O)n(nc2Cc1ccc(cc1)Cl)C1CCN(CCC1)C.Cl
• Canonical SMILES: CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2.Cl
• InChI: InChI=1S/C22H24ClN3O.ClH/c1-25-13-4-5-18(12-14-25)26-22(27)20-7-3-2-6-19(20)21(24-26)15-16-8-10-17(23)11-9-16;/h2-3,6-11,18H,4-5,12-15H2,1H3;1H
• InChIKey: YEJAJYAHJQIWNU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-[(4-chlorophenyl)methyl]-2-(1-methylazepan-4-yl)-1,2-dihydrophthalazin-1-one hydrochloride
• IUPAC传统名: 4-[(4-chlorophenyl)methyl]-2-(1-methylazepan-4-yl)-1,2-dihydrophthalazin-1-one hydrochloride; azelastine hydrochloride
• 别名: 4-[(4-Chlorophenyl)methyl]-2-(hexahydro-1-methyl-1H-azepin-4-yl)-1(2H)-phthalazinone Hydrochloride; Afluon; Azeptin; Optilast; A-5610; E-0659; W-2979M; Azel; Lasticom; 4-[(4-chlorophenyl)methyl]-2-(1-methylazepan-4-yl)phthalazin-1-one hydrochloride; Azelastine hydrochloride; Optivar; Azelastine hydrochloride; Azelastine hydrochloride; Allergodil; Rhinolast; Astelin; Optilas

登记号

• CAS号: 79307-93-0
• MDL号: MFCD00242783
• PubChem SID: 162037662
• PubChem CID: 54360

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 0.90765303
• LogD (pH = 7.4): 2.554609
• Log P: 4.0412636
• 摩尔折射率: 110.5154 cm^3
• 极化性: 41.968857 Å^3
• 极化表面积: 35.91 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: Chloroform; DMSO: >10 mg/mL; Methanol; Water
• 外观: White Solid; white to off-white powder
• 熔点: 223-225°C

安全信息

• 保存条件: -20°C; -20°C Freezer
• 欧盟危险性物质标志: 有害性(Harmful) (Xn)
• 危险公开号: 22
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H302
• 保存温度: -20°C

药理学性质

• 作用靶点: histamine
• 生物活性机理: Histamine H1-receptor antagonist and mediator release inhibitor

产品相关信息

• 纯度: ≥98% (HPLC)
• 成盐信息: HCl; hydrochloride
• 应用领域: Used for the local treatment of allergic and vasomotor rhinitis and allergic conjunctivitis.
• Empirical Formula (Hill Notation): C22H24ClN3O · HCl

详细说明

Selleck Chemicals - S2552

Biological Activity:
Azelastine hydrochloride (Astelin) is a potent, second-generation, selective, histamine antagonist. [1] Azelastine hydrochloride (Astelin) has a triple mode of action: Anti-histamine effect, mast-cell stabilizing effect and anti-inflammatory effect. Azelastine hydrochloride (Astelin) has a rapid onset of action: 15 minutes with the nasal spray and 3 minutes with the eye drops. The effect lasts for 12 hours. [2][3][4]

Sigma Aldrich - A7611

Biochem/physiol Actions
H1 histamine receptor antagonist; NF-kB activator.
Application
Azelastine hydrochloride is a H1 histamine receptor antagonist and NF-kB activator. Azelastine hydrochloride has been used in a study to investigate the potential of polymeric microspheres for treatment of allergic conjunctivitis.

Toronto Research Chemicals - A808250

Orally active H1-hystamine receptor antagonist. Antihistaminic.

参考文献

• 79307-93-0
• Tasaka, K., et al.: Arzneim.-Forsch., 29, 488 (1979)
• Chand, N., et al.: Int. J. Immunopharmacol., 7, 833 (1979)
• Tasaka, K. et al., Arzneim.-Forsch., 1979, 29, 488
• Zechel, H.J. et al., Arzneim.-Forsch., 1981, 31, 1184
• Hazama, H. et al., Eur. J. Pharmacol., 1994, 259, 143