4,4'-bis[2,3-di(tert-butoxycarbonyl)guanidino]-1,2-diphenylethane | 1029802-16-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 4,4'-bis[2,3-di(tert-butoxycarbonyl)guanidino]-1,2-diphenylethane
• 英文别名: tert-butyl N-[N'-[4-[2-[4-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]phenyl]ethyl]phenyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate
• CAS: 1029802-16-1
• 化学式: C₃₆H₅₂N₆O₈
• 分子量: 696.844
• InChiKey: FDOFXJNGGPHOSB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.6
• 重原子数：
  50
• 可旋转键数：
  17
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  178
• 氢给体数：
  4
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  4,4'-bis[2,3-di(tert-butoxycarbonyl)guanidino]-1,2-diphenylethane 在 盐酸 作用下， 以 1,4-二氧六环 为溶剂， 以31 %的产率得到4,4'-diguanidino-1,2-diphenylethane dihydrochloride
  参考文献：
  名称：

  双苯甲脒和双苯甲胍脲可作为针对铜绿假单胞菌的抗菌剂

  摘要：

  已发现苯氮脒和苯并胍官能度可增加小分子对革兰氏阴性病原体的抗菌和佐剂活性。在此，我们检查了一系列二聚体小分子与苯扎脒、苯并胍、二甲基胺和吡啶部分对多重耐药铜绿假单胞菌的抗菌活性。

  DOI：

  10.1002/cmdc.202300496
• 作为产物：
  描述：

  4,4'-二氨基联苄 、 N,N′-二-Boc-硫脲 在 三乙胺 、 mercury dichloride 作用下， 以 二氯甲烷 为溶剂， 反应 26.0h， 以62%的产率得到4,4'-bis[2,3-di(tert-butoxycarbonyl)guanidino]-1,2-diphenylethane
  参考文献：
  名称：

  GUANIDINE BASED COMPOUNDS

  摘要：

  肾上腺素受体或肾上腺素受体是一类G蛋白偶联受体家族，分为α和β亚类。肾上腺素受体在调节多种生理条件中起着重要作用，其功能失调已被认为与多种疾病的病理生理有关。本文披露了一系列新型胍啶和2-氨基咪唑啉化合物，它们是肾上腺素受体的α2-亚型（α2-ARs）亚类的配体。该发明还提供了包含这些新型化合物的药物组合物。这些化合物适用于制造用于治疗与α2-ARs相关疾病的药物，如抑郁症、精神分裂症、青光眼和镇痛的药物。

  公开号：

  US20100331384A1

文献信息

• GUANIDINE BASED COMPOUNDS
  申请人：Rozas Hernando Maria Isabel

  公开号：US20100331384A1

  公开（公告）日：2010-12-30

  The adrenergic receptors or adrenoceptors are a family of G-protein coupled receptors split into α and β subclasses. The adrenoceptors have important roles in regulating a myriad of physiological conditions and their malfunction has been implicated in the pathophysiology of a number of diseases. Disclosed herein are a series of novel guanidine and 2-aminoimidazoline compounds which are ligands of the alpha2-adrenoceptor (α2-ARs) subclass of adrenergic receptors. The invention also provides for pharmaceutical compositions comprising the novel compounds. The compounds are suitable for use in the manufacture of medicaments for the treatment of α2-ARs associated disorders, such as depression, schizophrenia, glaucoma and analgesia.

  肾上腺素受体或肾上腺素受体是一类G蛋白偶联受体家族，分为α和β亚类。肾上腺素受体在调节多种生理条件中起着重要作用，其功能失调已被认为与多种疾病的病理生理有关。本文披露了一系列新型胍啶和2-氨基咪唑啉化合物，它们是肾上腺素受体的α2-亚型（α2-ARs）亚类的配体。该发明还提供了包含这些新型化合物的药物组合物。这些化合物适用于制造用于治疗与α2-ARs相关疾病的药物，如抑郁症、精神分裂症、青光眼和镇痛的药物。
• 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。
• [EN] GUANIDINE BASED COMPOUNDS<br/>[FR] COMPOSÉS À BASE DE GUANIDINE
  申请人：TRINITY COLLEGE DUBLIN

  公开号：WO2009080818A2

  公开（公告）日：2009-07-02

  The adrenergic receptors or adrenoceptors are a family of G-protein coupled receptors split into α and β subclasses. The adrenoceptors have important roles in regulating a myriad of physiological conditions and their malfunction has been implicated in the pathophysiology of anumber of diseases. Disclosed herein are a series of novel guanidine and 2-aminoimidazoline compounds which are ligands of the alpha2- adrenoceptor (α2-ARs) subclass of adrenergic receptors. The invention also provides for pharmaceutical compositions comprising the novel compounds. The compounds are suitable for use in the manufacture of medicaments for the treatment of α2-ARs associated disorders, such as depression, schizophrenia, glaucoma and analgesia.
• Guanidine and 2-Aminoimidazoline Aromatic Derivatives as α₂-Adrenoceptor Antagonists. 2. Exploring Alkyl Linkers for New Antidepressants
  作者：Fernando Rodriguez、Isabel Rozas、Jorge E. Ortega、Amaia M. Erdozain、J. Javier Meana、Luis F. Callado

  DOI：10.1021/jm800026x

  日期：2008.6.1

  The preparation of a number of (bis)ouanidine and (bis)2-aminoimidazoline derivatives as potential alpha(2)-adrenoceptor antagonists for the treatment of depression is presented. Human brain tissue was used to measure their affinity toward the alpha(2)-adrenoceptors in vitro. Compounds 6b, 8b, 9b, 10b, 15b, 17b, 18b, 20b, and 21b displayed a good affinity (pK(i) > 7) and were evaluated in in vitro functional [(35)S]GTP gamma S binding assays in human prefrontal cortex to determine their agonistic or antagonistic activity. Among these compounds, 17b and 20b showed the expected behavior for an antagonist and were subject to in vivo microdialysis experiments in rats. Significantly, these experiments confirmed the antagonistic properties of 17b and 20b, and therefore both compounds can be considered as potential antidepressants.
• Bisbenzamidine and Bisbenzguanidine Ureas Act as Antibacterial Agents against <i>Pseudomonas aeruginosa</i>
  作者：Casey N. Kellogg、Bryce A. Pugh、Isaak M. Starr、Dhruvi J. Parmar、A'Zane D. Troxler、Amanda L. Wolfe

  DOI：10.1002/cmdc.202300496

  日期：2023.12.14

  Benzamidine and benzguanidine functionality have been found to increase both antibacterial and adjuvant activity of small molecules against Gram-negative pathogens. Herein, we examine the antibacterial activity of a series of dimeric small molecules with benzamidine, benzguanidine, dimethyl amine, and pyridine moieties against multidrug resistant Pseudomonas aeruginosa.

  已发现苯氮脒和苯并胍官能度可增加小分子对革兰氏阴性病原体的抗菌和佐剂活性。在此，我们检查了一系列二聚体小分子与苯扎脒、苯并胍、二甲基胺和吡啶部分对多重耐药铜绿假单胞菌的抗菌活性。