N-[4-(4-methylpiperazin-1-yl)phenyl]acridin-9-amine hydrate trihydrochloride

• ChemBase编号: 153155
• 分子式: C24H29Cl3N4O
• 平均质量: 495.87226
• 单一同位素质量: 494.14069461
• SMILES: CN1CCN(CC1)c1ccc(cc1)Nc1c2ccccc2nc2c1cccc2.O.Cl.Cl.Cl
• Canonical SMILES: CN1CCN(CC1)c1ccc(cc1)Nc1c2ccccc2nc2c1cccc2.O.Cl.Cl.Cl
• InChI: InChI=1S/C24H24N4.3ClH.H2O/c1-27-14-16-28(17-15-27)19-12-10-18(11-13-19)25-24-20-6-2-4-8-22(20)26-23-9-5-3-7-21(23)24;;;;/h2-13H,14-17H2,1H3,(H,25,26);3*1H;1H2
• InChIKey: MQLRQYJDNPLIKI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[4-(4-methylpiperazin-1-yl)phenyl]acridin-9-amine hydrate trihydrochloride
• IUPAC传统名: N-[4-(4-methylpiperazin-1-yl)phenyl]acridin-9-amine hydrate trihydrochloride
• 别名: Acridin-9-yl-[4-(4-methylpiperazin-1-yl)-phenyl]amine 三盐酸盐 水合物; JP-1302 三盐酸盐 水合物; Acridin-9-yl-[4-(4-methylpiperazin-1-yl)-phenyl]amine trihydrochloride hydrate; JP-1302 trihydrochloride hydrate

登记号

• MDL号: MFCD11045293
• PubChem SID: 162247295
• PubChem CID: 71311599

理论计算性质

• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): 0.7790021
• LogD (pH = 7.4): 3.177713
• Log P: 4.9013166
• 摩尔折射率: 115.0224 cm^3
• 极化性: 46.522076 Å^3
• 极化表面积: 31.4 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: H2O: >10 mg/mL
• 外观: solid

安全信息

• 保存条件: protect from light
• 欧盟危险性物质标志: 有害性(Harmful) (Xn)
• 德国WGK号: 3
• 危险公开号: 22
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H302-H413
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥98% (HPLC)
• Empirical Formula (Hill Notation): C24H27N4Cl3

详细说明

Sigma Aldrich - J4899

Biochem/physiol Actions
selective a2C-adrenoceptor antagonist displayed antagonism potencies KB of 1,500, 2,200 and 16 nM at the human a2A-, a2B-, and a2C-adrenoceptor subtypes, respectively; Ki = 28 nM; produced antidepressant and antipsychotic-like effects, i.e. it effectively reduced immobility in the forced specific antagonism of the a2C-adrenoceptor may have therapeutic potential as a novel mechanism for the treatment of neuropsychiatric disorders.