3-cyano-N-hydroxybenzenecarboximidoyl chloride | 20680-35-7

• 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: 3-cyano-N-hydroxybenzenecarboximidoyl chloride
• 英文别名: 3-Cyano-N-hydroxybenzimidoyl chloride；(1Z)-3-cyano-N-hydroxybenzenecarboximidoyl chloride
• CAS: 20680-35-7
• 化学式: C₈H₅ClN₂O
• 分子量: 180.593
• InChiKey: XFORDQBBVZEKTB-FLIBITNWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  56.4
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2926909090

反应信息

• 作为反应物：
  描述：

  3-cyano-N-hydroxybenzenecarboximidoyl chloride 在 重氮甲烷 、 三甲基铝 作用下， 生成 3-(3-Cyano-phenyl)-isoxazole-4-carboxylic acid (2'-tert-butylsulfamoyl-biphenyl-4-yl)-amide
  参考文献：
  名称：

  Isoxazolines and isoxazoles as factor Xa inhibitors

  摘要：

  3,4,5-Trisubstituted isoxazolines (2) and isoxazoles (3) were prepared and evaluated for their in vitro and in vivo antithrombotic efficacy. They were compared to 3,5,5-trisubstituted isoxazolines (1) for Factor Xa selectivity and potency. They were also compared in an arterio-venous (A-V) shunt model of thrombosis. (C) 2000 DuPont Pharmaceuticals Company. Published by Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00097-4
• 作为产物：
  描述：

  3-氰基苯甲醛肟 在 N-氯代丁二酰亚胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 以79%的产率得到3-cyano-N-hydroxybenzenecarboximidoyl chloride
  参考文献：
  名称：

  Bicyclic piperazines as metabotropic glutatmate receptor antagonists

  摘要：

  该发明涉及公式I的化合物或其药用可接受的盐或溶剂化合物：其中Ar1、A、Hy、R1、m和n如描述中所定义。该发明还包括药物组合物、使用方法以及制备这些化合物的方法，以及治疗mGluR5介导的疾病的医疗方法。

  公开号：

  US20070037816A1

文献信息

• Bicyclic piperazines as metabotropic glutatmate receptor antagonists
  申请人：Edwards Louise

  公开号：US20070037816A1

  公开（公告）日：2007-02-15

  The invention relates to compounds of formula I or pharmaceutically acceptable salts or solvates thereof: where Ar 1 , A, Hy, R 1 , m and n are as defined in the description. The invention also includes pharmaceutical compositions and uses of, and processes of making the compounds, as well as methods of medical treatment of mGluR5-mediated disorders.

  该发明涉及公式I的化合物或其药用可接受的盐或溶剂化合物：其中Ar1、A、Hy、R1、m和n如描述中所定义。该发明还包括药物组合物、使用方法以及制备这些化合物的方法，以及治疗mGluR5介导的疾病的医疗方法。
• 6-O-substituted erythromycin derivatives having improved gastrointestinal tolerance
  申请人：Ma Zhenkun

  公开号：US20060166906A1

  公开（公告）日：2006-07-27

  Compounds having formula (I) are useful for treating bacterial infections while avoiding the concomitant liability of gastrointestinal intolerance. Compositions containing the compounds and methods of treatment using the compounds are also disclosed.

  具有化学式（I）的化合物可用于治疗细菌感染，同时避免胃肠不耐受的风险。含有这些化合物的组合物以及使用这些化合物进行治疗的方法也被揭示。
• Novel Isoxazoles and Methods of Use Thereof
  申请人：Gopalakrishnan Murali

  公开号：US20090306096A1

  公开（公告）日：2009-12-10

  The invention relates to isoxazole derivatives, compositions comprising such compounds, and methods of preventing or treating conditions and disorders using such compounds and compositions.

  这项发明涉及异唑烷衍生物，包括这些化合物的组合物，以及使用这些化合物和组合物预防或治疗疾病和疾病的方法。
• Bicyclic Piperazines as Metabotropic Glutatmate Receptor Antagonists
  申请人：Edwards Louise

  公开号：US20080312240A1

  公开（公告）日：2008-12-18

  The invention relates to compounds of formula I or pharmaceutically acceptable salts or solvates thereof: where Ar 1 , A, Hy, R 1 , m and n are as defined in the description. The invention also includes pharmaceutical compositions and uses of, and processes of making the compounds, as well as methods of medical treatment of mGluR5-mediated disorders.

  本发明涉及化合物I的公式或其药学上可接受的盐或溶剂：其中Ar1、A、Hy、R1、m和n如说明书所定义。本发明还包括制备该化合物的制剂、用途和方法，以及治疗mGluR5介导的疾病的医疗方法。
• 2,4-diamino-6-ethylpyrimidine derivatives with antimalarial activities against Plasmodium falciparum
  申请人：National Science and Technology Development Agency

  公开号：US11028072B2

  公开（公告）日：2021-06-08

  The present invention relates to 2,4-diamino-6-ethylpyrimidine derivatives that are inhibitors of wild type and quadruple mutant dihydrofolate reductase (DHFR) of Plasmodium falciparum. They also show in vitro antimalarial activities against Plasmodium falciparum for both wild type and mutant that are comparable to or better than pyrimethamine. In addition, the compounds of the present invention show a good selectivity to Plasmodium falciparum and exhibit lower cytotoxicity than pyrimethamine.

  本发明涉及 2,4-二氨基-6-乙基嘧啶衍生物，它们是恶性疟原虫野生型和四重突变型二氢叶酸还原酶（DHFR）的抑制剂。它们还显示出对恶性疟原虫野生型和突变型的体外抗疟活性，与乙胺嘧啶相当或优于乙胺嘧啶。此外，本发明的化合物对恶性疟原虫具有良好的选择性，其细胞毒性低于乙胺嘧啶。