3-(3-溴苯基)-1-(3-甲基吡啶-2-基)吡咯烷-2,5-二酮 | 110592-46-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 中文名称: 3-(3-溴苯基)-1-(3-甲基吡啶-2-基)吡咯烷-2,5-二酮
• 英文名称: 3-(m-bromophenyl)-1-(3-methyl-2-pyridyl)pyrrolidin-2,5-dione
• 英文别名: 3-(m-Bromophenyl)-N-(3-methyl-2-pyridinyl)succinimide；3-(3-bromophenyl)-1-(3-methylpyridin-2-yl)pyrrolidine-2,5-dione
• CAS: 110592-46-6
• 化学式: C₁₆H₁₃BrN₂O₂
• 分子量: 345.195
• InChiKey: VLEBRWOJQVFPAE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  50.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-氨基-3-甲基吡啶 、 (3-溴苯基)琥珀酸 在 水 作用下， 反应 1.5h， 生成 3-(3-溴苯基)-1-(3-甲基吡啶-2-基)吡咯烷-2,5-二酮
  参考文献：
  名称：

  Synthesis, physicochemical and anticonvulsant properties of new N-pyridyl derivatives of 3-phenyl- and 3,3-diphenyl-succinimides

  摘要：

  Synthesis and physicochemical properties of new N-pyridyl derivatives of 3-phenyl and 3,3-diphenylsuccinimides (1-12) have been described. The obtained compounds were evaluated in respect of their anticonvulsant activity. The N-pyridyl derivatives of 3-phenylsuccinimides (7-12) abolished the protection against MES- and scMET-induced seizures, whereas N-pyridyl derivatives of 3,3-diphenylsuccinimides (1-6) were inactive. After molecular modelling and quantum-chemistry calculations the theoretical activity test was applied (W. Kwiatkowski, J. Karolak-Wojciechowska, SAR and QSAR Envir. Res. 1 (1993) 233; Chem. Abstr. 120, 153001 (1994). J. Karolak-Wojciechowska, M. Blaszczyk, W. Kwiatkowski, J. Obniska, A. Zejc, J. Chem. Cryst. 27 (1997) 297; Chem. Abstr. 127, 277834k (1997)). The molecular electrostatic potential (MEP) of the active compounds differed significantly from that of the inactive ones. (C) 1999 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0014-827x(99)00033-6

文献信息

• ZEJC A.; OBNISKA J.; CHOJNACKA-WOJCIK E.; TATARCZYNSKA E.; WICZYNSKA B., POL. J. PHARMACOL. AND PHARM., 39,(1987) N 1, 91-95
  作者：ZEJC A.、 OBNISKA J.、 CHOJNACKA-WOJCIK E.、 TATARCZYNSKA E.、 WICZYNSKA B.

  DOI：——

  日期：——
• Synthesis, physicochemical and anticonvulsant properties of new N-pyridyl derivatives of 3-phenyl- and 3,3-diphenyl-succinimides
  作者：Jolanta Obniska、Alfred Zejc、Janina Karolak-Wojciechowska

  DOI：10.1016/s0014-827x(99)00033-6

  日期：1999.7

  Synthesis and physicochemical properties of new N-pyridyl derivatives of 3-phenyl and 3,3-diphenylsuccinimides (1-12) have been described. The obtained compounds were evaluated in respect of their anticonvulsant activity. The N-pyridyl derivatives of 3-phenylsuccinimides (7-12) abolished the protection against MES- and scMET-induced seizures, whereas N-pyridyl derivatives of 3,3-diphenylsuccinimides (1-6) were inactive. After molecular modelling and quantum-chemistry calculations the theoretical activity test was applied (W. Kwiatkowski, J. Karolak-Wojciechowska, SAR and QSAR Envir. Res. 1 (1993) 233; Chem. Abstr. 120, 153001 (1994). J. Karolak-Wojciechowska, M. Blaszczyk, W. Kwiatkowski, J. Obniska, A. Zejc, J. Chem. Cryst. 27 (1997) 297; Chem. Abstr. 127, 277834k (1997)). The molecular electrostatic potential (MEP) of the active compounds differed significantly from that of the inactive ones. (C) 1999 Elsevier Science S.A. All rights reserved.