trans-2-amino-4-cyclohexene-1-carboxamide

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: trans-2-amino-4-cyclohexene-1-carboxamide
• 英文别名: (1S,6S)-6-aminocyclohex-3-ene-1-carboxamide
• 化学式: C₇H₁₂N₂O
• 分子量: 140.185
• InChiKey: JXMUPIBGRUPBHN-WDSKDSINSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  69.1
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-(4-氯苯甲酰)丙酸 、 trans-2-amino-4-cyclohexene-1-carboxamide 在 对甲苯磺酸 作用下， 以 甲苯 为溶剂， 反应 3.0h， 以62%的产率得到3a-p-chlorophenyl-1,2,3,3a,5a,6,9,9a-octahydropyrrolo[1,2-a]quinazoline-1,5-dione
  参考文献：
  名称：

  Preparation and structure of pyrrolo- and isoindoloquinazolinones

  摘要：

  Aroylpropionic acids react with cis- and trans-2-aminocyclohexane- or 4-cyclohexene-1-carboxamides and diexo-norbornane/ene analogues to give saturated or partly saturated pyrroloquinazolinones and methylene-bridged derivatives. In the reactions of 2-formylbenzoic acid or 2-aroylbenzoic acid with aminocarboxamides, the isoindoloquinazolinones were formed. Bisacyl derivatives were also isolated. The product aminocarboxamides always retained their starting cis, trans, diexo or diendo configurations. The structures, including the ring annelations and the position of the aryl group or, for the reaction of formylbenzoic acid, that of the H atom on the new chiral centre, were established by means of NMR spectroscopy. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2004.02.039

文献信息

• SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP)
  申请人：Weintraub M. Philip

  公开号：US20070032489A1

  公开（公告）日：2007-02-08

  The present invention relates to a series of 2,3,5-substituted pyridone derivatives of formula I: wherein R, R 1 , R 2 , R 3 and R 4 are as defined herein. This invention also relates to methods of making these compounds. The compounds of this invention are inhibitors of poly(adenosine 5′-diphosphate ribose) polymerase (PARP) and are therefore useful as pharmaceutical agents, especially in the treatment and/or prevention of a variety of diseases, including diseases associated with the central nervous system and cardiovascular disorders.

  本发明涉及一系列公式I的2,3,5-取代吡啶酮衍生物，其中R，R1，R2，R3和R4如本文所定义。本发明还涉及制备这些化合物的方法。本发明的化合物是聚腺苷酸二磷酸核糖聚合酶（PARP）的抑制剂，因此在治疗和/或预防各种疾病，包括与中枢神经系统和心血管疾病有关的疾病方面，具有药物学上的用途。
• US8173682B2
  申请人：——

  公开号：US8173682B2

  公开（公告）日：2012-05-08
• Preparation and structure of pyrrolo- and isoindoloquinazolinones
  作者：Pál Sohár、Antal Csámpai、Angela E. Szabó、Géza Stájer

  DOI：10.1016/j.molstruc.2004.02.039

  日期：2004.6

  Aroylpropionic acids react with cis- and trans-2-aminocyclohexane- or 4-cyclohexene-1-carboxamides and diexo-norbornane/ene analogues to give saturated or partly saturated pyrroloquinazolinones and methylene-bridged derivatives. In the reactions of 2-formylbenzoic acid or 2-aroylbenzoic acid with aminocarboxamides, the isoindoloquinazolinones were formed. Bisacyl derivatives were also isolated. The product aminocarboxamides always retained their starting cis, trans, diexo or diendo configurations. The structures, including the ring annelations and the position of the aryl group or, for the reaction of formylbenzoic acid, that of the H atom on the new chiral centre, were established by means of NMR spectroscopy. (C) 2004 Elsevier B.V. All rights reserved.