3-fluoro-5-isocyanatobenzonitrile | 1261862-00-3

• 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-fluoro-5-isocyanatobenzonitrile
• 英文别名: 3-fluoro-5-isocyanatobenznitrile
• CAS: 1261862-00-3
• 化学式: C₈H₃FN₂O
• 分子量: 162.123
• InChiKey: YLWIAUFSIWBQHU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 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：
  53.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-fluoro-5-isocyanatobenzonitrile 在 氨 、 氢气 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 32.0h， 生成 N-(3-(aminomethyl)-5-fluorophenyl)-4-methylpiperazine-1-carboxamide
  参考文献：
  名称：

  Development of potent and selective inhibitors targeting the papain-like protease of SARS-CoV-2

  摘要：

  DOI：

  10.1016/j.chembiol.2021.04.020
• 作为产物：
  描述：

  三光气 、 5-氨基-3-氟苯腈 以 乙酸乙酯 为溶剂， 反应 4.0h， 生成 3-fluoro-5-isocyanatobenzonitrile
  参考文献：
  名称：

  Substituted 1-Phenyl-3-(pyridin-2-yl)urea Negative Allosteric Modulators of mGlu₅: Discovery of a New Tool Compound VU0463841 with Activity in Rat Models of Cocaine Addiction

  摘要：

  Cocaine is a powerful and highly addictive stimulant that disrupts the normal reward circuitry in the central nervous system (CNS), producing euphoric effects. Cocaine use can lead to acute and life threatening emergencies, and abuse is associated with increased risk for contracting infectious diseases. Though certain types of behavioral therapy have proven effective for treatment of cocaine addiction, relapse remains high, and there are currently no approved medications for the treatment of cocaine abuse. Evidence has continued to accumulate that indicates a critical role for the metabotropic glutamate receptor subtype 5 (mGlu(5)) in the modulation of neural circuitry associated with the addictive properties of cocaine. While the small molecule mGlu(5) negative allosteric modulator (NAM) field is relatively advanced, investigation into the potential of small molecule mGlu(5) NAMs for the treatment of cocaine addiction remains an area of high interest. Herein we describe the discovery and characterization of a potent and selective compound 29 (VU0463841) with good CNS exposure in rats. The utility of 29 (VU0463841) was demonstrated by its ability to attenuate drug seeking behaviors in relevant rat models of cocaine addiction.

  DOI：

  10.1021/cn400070k

文献信息

• UREA DERIVATIVE
  申请人：Daiichi Sankyo Company, Limited

  公开号：EP3524240A1

  公开（公告）日：2019-08-14

  An object of the present invention is to find a novel pharmaceutical that has an excellent tryptophanase inhibitory effect, and suppresses worsening of renal function to preserve the kidney by reducing production of indoxyl sulfate in the blood. The present invention provides a pharmaceutical composition containing, as an active ingredient, a compound represented by the following formula, or a pharmacologically acceptable salt thereof: wherein R1 and R2 are the same or different, and represent a C1-C6 alkyl group or the like, and Ar represents an optionally substituted phenyl group or an optionally substituted thienyl group.

  本发明的目的是找到一种新型药物，它具有极佳的色氨酸酶抑制作用，并通过减少血液中吲哚硫酸酯的产生来抑制肾功能恶化，从而保护肾脏。本发明提供了一种药物组合物，其活性成分含有下式所代表的化合物或其药理学上可接受的盐： 其中 R1 和 R2 相同或不同，代表 C1-C6 烷基或类似物，Ar 代表任选取代的苯基或任选取代的噻吩基。
• Urea derivative
  申请人：Daiichi Sankyo Company, Limited

  公开号：US10968169B2

  公开（公告）日：2021-04-06

  An object of the present invention is to find a novel pharmaceutical that has an excellent tryptophanase inhibitory effect, and suppresses worsening of renal function to preserve the kidney by reducing production of indoxyl sulfate in the blood. The present invention provides a pharmaceutical composition containing, as an active ingredient, a compound represented by the following formula, or a pharmacologically acceptable salt thereof: wherein R1 and R2 are the same or different, and represent a C1-C6 alkyl group or the like, and Ar represents an optionally substituted phenyl group or an optionally substituted thienyl group.

  本发明的目的是找到一种新型药物，它具有极佳的色氨酸酶抑制作用，并通过减少血液中吲哚硫酸酯的产生来抑制肾功能恶化，从而保护肾脏。本发明提供了一种药物组合物，其活性成分含有下式所代表的化合物或其药理学上可接受的盐： 其中 R1 和 R2 相同或不同，代表 C1-C6 烷基或类似基团，Ar 代表任选取代的苯基或任选取代的噻吩基。