N-(2,6-dimethylphenyl)-2-(hexahydro-1H-pyrrolizin-7a-yl)acetamide hydrochloride

• ChemBase编号: 154642
• 分子式: C17H25ClN2O
• 平均质量: 308.8462
• 单一同位素质量: 308.16554111
• SMILES: Cc1cccc(c1NC(=O)CC12CCCN1CCC2)C.Cl
• Canonical SMILES: O=C(CC12CCCN2CCC1)Nc1c(C)cccc1C.Cl
• InChI: InChI=1S/C17H24N2O.ClH/c1-13-6-3-7-14(2)16(13)18-15(20)12-17-8-4-10-19(17)11-5-9-17;/h3,6-7H,4-5,8-12H2,1-2H3,(H,18,20);1H
• InChIKey: NZOSVDHCTCLGEB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(2,6-dimethylphenyl)-2-(hexahydro-1H-pyrrolizin-7a-yl)acetamide hydrochloride
• IUPAC传统名: pilsicainide hydrochloride
• 别名: N-(2,6-Dimethylphenyl)tetrahydro-1H-pyrrolizine-7a(5H)-acetamide hydrochloride; Pilzicainide hydrochloride; SUN 1165; Pilsicainide hydrochloride

登记号

• MDL号: MFCD00903769
• PubChem SID: 162248780
• PubChem CID: 114817

理论计算性质

• Acid pKa: 14.4369135
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -0.32494128
• LogD (pH = 7.4): 0.23881635
• Log P: 3.1614408
• 摩尔折射率: 83.7736 cm^3
• 极化性: 31.70631 Å^3
• 极化表面积: 32.34 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: deionized water: >5 mg/mL
• 外观: white to beige powder

安全信息

• 欧盟危险性物质标志: 有害性(Harmful) (Xn)
• 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): 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
• RID/ADR: UN 2811 6.1/PG 3
• 保存温度: room temp

产品相关信息

• 纯度: ≥98% (HPLC)
• Empirical Formula (Hill Notation): C17H24N2O · xHCl

详细说明

Sigma Aldrich - P0026

Biochem/physiol Actions
Pilsicainide hydrochloride is a pure sodium channel blocker and an open channel blocker of Na+1 channels. Pilsicainide was defined as a pure sodium channel blocker. The compound is classified as a class Ic antiarrhythmic drug, and was originally developed in Japan. Similar to Lidocaine, Pilsicainide binds to open channels, but slowly. Pilsicainide is capable of selectively blocking the late currents in the mutant Na(+) channels that show dominant abnormal burst openings such as in δKPQ mutants. The compound is used to induce Brugada syndrome (BS) in animal models.