4-(2-amino-ethylamino)-benzonitrile | 181943-46-4

• 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: 4-(2-amino-ethylamino)-benzonitrile
• 英文别名: 4-(2-Aminoethylamino)benzonitrile
• CAS: 181943-46-4
• 化学式: C₉H₁₁N₃
• 分子量: 161.206
• InChiKey: OWTRYBIXEFBFKC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  61.8
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-氯苯磺酰氯 、 4-(2-amino-ethylamino)-benzonitrile 在 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 20.08h， 以91%的产率得到N-(2-{[4-cyanophenyl]amino}-ethyl)-4-chlorobenzene sulfonamide
  参考文献：
  名称：

  Identifying new lead structures to enhance tolerance towards drought stress via high-throughput screening giving crops a quantum of solace

  摘要：

  Novel synthetic lead structures interacting with RCAR/(PYR/PYL) receptor proteins were identified based on the results of a high-throughput screening campaign of a large compound library followed by focused SAR studies of the three most promising hit clusters. Whilst indolinylmethyl sulfonamides 8y,z and phenylsulfonyl ethylenediamines 9y,z showed strong affinities for RCAR/ (PYR/PYL) receptor proteins in wheat, thiotriazolyl acetamides 7f,s exhibited promising efficacy against drought stress in vivo (wheat, corn and canola) combined with confirmed target interaction in wheat and arabidopsis thaliana. Remarkably, binding affinities of several representatives of 8 and 9 were on the same level or even better than the essential plant hormone abscisic acid (ABA).

  DOI：

  10.1016/j.bmc.2019.115142
• 作为产物：
  描述：

  对氟苯腈 、 乙二胺 在 tetraphosphorus decasulfide 作用下， 反应 4.0h， 以99%的产率得到4-(2-amino-ethylamino)-benzonitrile
  参考文献：
  名称：

  一些邻位和对位卤代芳族腈与乙二胺的反应：咪唑啉的选择性合成

  摘要：

  乙二胺（EDA）与反应邻和/或对位被卤代苄腈没有导致预期的咪唑啉：有竞争力的芳香亲核取代（S Ñ观察到AR）来代替。这些咪唑啉的选择性合成是通过将EDA亲核加成到硫代苯甲酰胺衍生物中来进行的。腈和硫代酰胺衍生物之间的反应性差异是通过RHF / 6-31G **级的前沿轨道方法估算的，该方法预测了取代的硫代苯甲酰胺对EDA亲核加成的反应性更高。

  DOI：

  10.1016/j.tet.2004.04.075

文献信息

• IMIDAZO-, PYRAZOLOPYRAZINES AND IMIDAZOTRIAZINES AND THEIR USE
  申请人：Siegel Stephan

  公开号：US20110053929A1

  公开（公告）日：2011-03-03

  The invention relates to substituted imidazo-, pyrazolopyrazines and imidazotriazines and processes for their preparation, and their use for the manufacture of medicaments for the treatment and/or prophylaxis of diseases, in particular of hematological disorders, preferably of leukopenias and neutropenias.

  该发明涉及取代咪唑-、吡唑基咪唑啉和咪唑三嗪，以及其制备方法，以及它们用于制造用于治疗和/或预防疾病的药物，特别是血液疾病，最好是白细胞减少症和中性粒细胞减少症。
• Piperazinone derivatives and their uses
  申请人：Laboratoire L. Lafon

  公开号：US06344456B1

  公开（公告）日：2002-02-05

  The invention concerns compounds of formula (I) wherein R1, R2, R3, R4 and R5 are as defined herein. Said compounds are useful in therapy as antithrombotic agents.

  该发明涉及公式（I）中的化合物，其中R1、R2、R3、R4和R5如本文所定义。所述化合物在治疗中作为抗血栓药物是有用的。
• Pyrimidine-based compounds useful as GSK-3 inhibitors
  申请人：——

  公开号：US20030199526A1

  公开（公告）日：2003-10-23

  The present invention provides a compound of formula (I): 1 or a pharmaceutically acceptable derivative thereof. These compounds are inhibitors of protein kinases, particularly inhibitors of GSK-3 mammalian protein kinases. The invention also provides pharmaceutically acceptable compositions comprising the compounds of the invention and methods of utilizing those compounds and compositions in the treatment of various protein kinase mediated disorders.

  本发明提供了一种化合物，其化学式为(I):1或其药用可接受的衍生物。这些化合物是蛋白激酶的抑制剂，特别是GSK-3哺乳动物蛋白激酶的抑制剂。该发明还提供了包括本发明化合物的药用可接受组合物，以及利用这些化合物和组合物治疗各种蛋白激酶介导的疾病的方法。
• Substituted piperazinones and their therapeutic uses
  申请人：Laboratoire L. Lafon

  公开号：US06335337B1

  公开（公告）日：2002-01-01

  Novel compounds which are inhibitors of the binding of fibrinogen to the Gp iib/iiia platelet receptors, and which can be used therapeutically as antithrombotic agents.

  小说化合物是Gp iib/iiia血小板受体与纤维蛋白原结合的抑制剂，可作为抗血栓药物进行治疗。
• NOVEL BENZAMIDINE DERIVATIVES AND MEDICINAL COMPOSITION THEREOF
  申请人：YAMANOUCHI PHARMACEUTICAL CO. LTD.

  公开号：EP0810215A1

  公开（公告）日：1997-12-03

  Disclosed are benzamidine derivatives of the following general formula (I), salts thereof, hydrates thereof or solvates thereof, and pharmaceutical compositions comprising the derivatives, salts thereof, hydrates thereof or solvates thereof along with pharmaceutically-acceptable carriers. The derivatives and their compositions have GPIIb/IIIa receptor antagonistic activity and are useful for the treatment and prophylaxis of vascular system disorders as medicines for ameliorating ischemic cardiac disorders, adminicula in cardiosurgery operations or in vascular surgery operations, medicines for ameliorating cerebrovascular disorders, and medicines for ameliorating peripheral artery disorders.

  本发明公开了以下通式(I)的联苯胺衍生物、其盐类、其水合物或其溶物，以及包含这些衍生物、其盐类、其水合物或其溶物以及药学上可接受的载体的药物组合物。 这些衍生物及其组合物具有 GPIIb/IIIa 受体拮抗活性，可作为改善缺血性心脏疾病的药物、心脏外科手术或血管外科手术中的用药、改善脑血管疾病的药物以及改善外周动脉疾病的药物，用于治疗和预防血管系统疾病。