4-[(N¹,N²-bis(tert-butyloxycarbonyl)guanidino)methyl]benzoic acid | 191987-23-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-[(N¹,N²-bis(tert-butyloxycarbonyl)guanidino)methyl]benzoic acid
• 英文别名: 4-[[(2-methylpropan-2-yl)oxycarbonyl-[N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]methyl]benzoic acid
• CAS: 191987-23-2
• 化学式: C₁₉H₂₇N₃O₆
• 分子量: 393.44
• InChiKey: QFBOWMNVIJPESN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  28
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  132
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  对溴甲基苯甲酸 、 1,3-二(叔丁氧基羰基)胍 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以70%的产率得到4-[(N¹,N²-bis(tert-butyloxycarbonyl)guanidino)methyl]benzoic acid
  参考文献：
  名称：

  A New Route to Guanidines from Bromoalkanes

  摘要：

  DOI：

  10.1021/jo9704164

文献信息

• Imidazo[4,5-c] ring compounds containing guanidine substituted benzamide groups
  申请人：3M INNOVATIVE PROPERTIES COMPANY

  公开号：US10766896B2

  公开（公告）日：2020-09-08

  Imidazo[4,5-c] ring compounds of formula I, (particularly imidazo4,5-c]quinolines, 6,7,8,9-tetrahydroimidazo[4,5-c]quinolines, imidazo[4,5-c]naphthyridines, and 6,7,8,9-tetrahydroimidazo[4,5-c]naphthyridine compounds) having a guanidine substituted benzamide that is attached at the N−1 position by a linking group, pharmaceutical compositions containing the compounds, and methods of making the compounds are disclosed. Methods of use of the compounds as immune response modifiers, for inducing cytokine biosynthesis in animals and in the treatment of diseases including viral and neoplastic diseases are also disclosed.

  式 I 的咪唑并[4,5-c]环化合物（特别是咪唑并[4,5-c]喹啉类、6,7,8,9-四氢咪唑并[4,5-c]喹啉类、咪唑并[4,5-c]萘啶类和 6,7,8,9- 四氢咪唑并[4、5-c]萘啶化合物）、含有这些化合物的药物组合物以及制造这些化合物的方法。还公开了将这些化合物用作免疫反应调节剂、诱导动物体内细胞因子的生物合成以及治疗包括病毒性和肿瘤性疾病在内的疾病的方法。
• IMIDAZO[4,5-C]RING COMPOUNDS CONTAINING GUANIDINE SUBSTITUTED BENZAMIDE GROUPS
  申请人：3M Innovative Properties Company

  公开号：EP3589631B1

  公开（公告）日：2021-07-21
• Imidazo[4,5-c] Ring Compounds Containing Guanidine Substituted Benzamide Groups
  申请人：3M INNOVATIVE PROPERTIES COMPANY

  公开号：US20200087298A1

  公开（公告）日：2020-03-19

  Imidazo[4,5-c] ring compounds of formula I, (particularly imidazo4,5-c]quinolines, 6,7,8,9-tetrahydroimidazo[4,5-c]quinolines, imidazo[4,5-c]naphthyridines, and 6,7,8,9-tetrahydroimidazo[4,5-c]naphthyridine compounds) having a guanidine substituted benzamide that is attached at the N−1 position by a linking group, pharmaceutical compositions containing the compounds, and methods of making the compounds are disclosed. Methods of use of the compounds as immune response modifiers, for inducing cytokine biosynthesis in animals and in the treatment of diseases including viral and neoplastic diseases are also disclosed.
• A New Route to Guanidines from Bromoalkanes
  作者：Ganesan Vaidyanathan、Michael R. Zalutsky

  DOI：10.1021/jo9704164

  日期：1997.7.1