tert-butyl N-[N'-[4-[4-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]anilino]phenyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate | 292634-09-4

• 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: tert-butyl N-[N'-[4-[4-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]anilino]phenyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate
• CAS: 292634-09-4
• 化学式: C₃₄H₄₉N₇O₈
• 分子量: 683.805
• InChiKey: MVOCKXNUDFMWHY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.9
• 重原子数：
  49
• 可旋转键数：
  16
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  190
• 氢给体数：
  5
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  tert-butyl N-[N'-[4-[4-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]anilino]phenyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate 在 三氟乙酸 作用下， 反应 0.5h， 以90%的产率得到2-[4-[4-(diaminomethylideneamino)anilino]phenyl]guanidine;hydrochloride
  参考文献：
  名称：

  New aromatic iminoimidazolidine derivatives as α 1 -adrenoceptor antagonists: a novel synthetic approach and pharmacological activity

  摘要：

  The design, synthesis and alpha(1)-adrenoceptor antagonism of a series of bis-imidazoline (1a, 2a, 3a and 4a) and bis-guanidine (1b, 2b, 3b and 4b) diphenyl derivatives are reported. All of these compounds fulfil the conditions of the most recent pharmacophore proposed for alpha(1)-adrenoceptors and found in the literature. Besides, a novel synthetic approach to the preparation of 2-(aryl-imino)imidazolidine derivatives is described. All the tested compounds, except the bis-guanidinium derivative 3b, inhibit the contractile responses induced by noradrenaline in aortic rings of rat and rabbit in a dose-dependent manner. Our results indicate that, even though some discrepancies are observed in terms of the alpha(1) subtype targeted by this new family of compounds, they show an interesting profile as antagonists of alpha(1)-adrenoceptors and a new prototype, compound 1a, has been found deserving further development. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(00)00089-4
• 作为产物：
  描述：

  4,4’-二氨基二苯胺 、 N,N′-二-Boc-硫脲 在 三乙胺 、 mercury dichloride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以66%的产率得到tert-butyl N-[N'-[4-[4-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]anilino]phenyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate
  参考文献：
  名称：

  New aromatic iminoimidazolidine derivatives as α 1 -adrenoceptor antagonists: a novel synthetic approach and pharmacological activity

  摘要：

  The design, synthesis and alpha(1)-adrenoceptor antagonism of a series of bis-imidazoline (1a, 2a, 3a and 4a) and bis-guanidine (1b, 2b, 3b and 4b) diphenyl derivatives are reported. All of these compounds fulfil the conditions of the most recent pharmacophore proposed for alpha(1)-adrenoceptors and found in the literature. Besides, a novel synthetic approach to the preparation of 2-(aryl-imino)imidazolidine derivatives is described. All the tested compounds, except the bis-guanidinium derivative 3b, inhibit the contractile responses induced by noradrenaline in aortic rings of rat and rabbit in a dose-dependent manner. Our results indicate that, even though some discrepancies are observed in terms of the alpha(1) subtype targeted by this new family of compounds, they show an interesting profile as antagonists of alpha(1)-adrenoceptors and a new prototype, compound 1a, has been found deserving further development. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(00)00089-4

文献信息

• Dual-binding conjugates of diaromatic guanidines and porphyrins for recognition of G-quadruplexes
  作者：Jagdeep Grover、Cristina Trujillo、Mona Saad、Ganapathi Emandi、Nikolina Stipaničev、Stefan S. R. Bernhard、Aurore Guédin、Jean-Louis Mergny、Mathias O. Senge、Isabel Rozas

  DOI：10.1039/d0ob01264e

  日期：——

  The first conceptualised class of dual-binding guanine quadruplex binders has been designed, synthesised and biophysically studied.

  第一个概念化的双结合鸟嘌呤四链体结合物类别已被设计、合成和生物物理学研究。