2-[3-(Trifluoromethoxy)phenyl]sulfonylacetonitrile | 797036-15-8

• 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: 2-[3-(Trifluoromethoxy)phenyl]sulfonylacetonitrile
• CAS: 797036-15-8
• 化学式: C₉H₆F₃NO₃S
• 分子量: 265.213
• InChiKey: AMMADFGZLUULCH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  17
• 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：
  75.5
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  2-[3-(Trifluoromethoxy)phenyl]sulfonylacetonitrile 在 吡啶 、 sodium ethanolate 、 三乙胺 、 三氯氧磷 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 6.0h， 生成 4-[10-[3-(Trifluoromethoxy)phenyl]sulfonyl-5-thia-1,8,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-7-yl]morpholine
  参考文献：
  名称：

  Synthesis and biological evaluation of triazolothienopyrimidine derivatives as novel HIV-1 replication inhibitors

  摘要：

  We identified a novel class of triazolothienopyrimidine (TTPM) compounds as potent HIV-1 replication inhibitors during a high-throughput screening campaign that evaluated more than 200,000 compounds using a cell-based full replication assay. Herein, we report the optimization of the antiviral activity in a cell-based assay system leading to the discovery of aryl-substituted TTPM derivatives (38, 44, and 45), which exhibited significant inhibition of HIV-1 replication with acceptable safety margins. These novel and potent TTPMs could serve as leads for further development. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.10.134
• 作为产物：
  描述：

  3-(三氟甲氧基)苯-1-磺酰氯 、 氯乙腈 在 碳酸氢钠 、 sodium sulfite 作用下， 以 水 为溶剂， 反应 0.83h， 生成 2-[3-(Trifluoromethoxy)phenyl]sulfonylacetonitrile
  参考文献：
  名称：

  Synthesis and biological evaluation of triazolothienopyrimidine derivatives as novel HIV-1 replication inhibitors

  摘要：

  We identified a novel class of triazolothienopyrimidine (TTPM) compounds as potent HIV-1 replication inhibitors during a high-throughput screening campaign that evaluated more than 200,000 compounds using a cell-based full replication assay. Herein, we report the optimization of the antiviral activity in a cell-based assay system leading to the discovery of aryl-substituted TTPM derivatives (38, 44, and 45), which exhibited significant inhibition of HIV-1 replication with acceptable safety margins. These novel and potent TTPMs could serve as leads for further development. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.10.134

文献信息

• [EN] NOVEL COMPOUNDS FOR TREATMENT OF OBESITY<br/>[FR] NOUVEAUX COMPOSES POUR LE TRAITEMENT DE L'OBESITE
  申请人：NOVO NORDISK AS

  公开号：WO2004101505A1

  公开（公告）日：2004-11-25

  Hydroxyl styrene sulfonyl derivatives of formula (I), in which the variables are as defined in the claims, are provided which are useful in the treatment of obesity.

  提供了式（I）的羟基苯乙烯磺酰衍生物，其中变量如权利要求所定义的那样，这些衍生物在肥胖症的治疗中是有用的。
• Novel compounds for treatment of obesity
  申请人：Tagmose Moller Tina

  公开号：US20060128662A1

  公开（公告）日：2006-06-15

  Novel hydroxyl styrene sulfonyl derivatives of Formula (I) are provided which are useful in the treatment of obesity.

  提供了化学式（I）的新型羟基苯乙烯磺酰衍生物，可用于肥胖症的治疗。
• NOVEL COMPOUNDS FOR TREATMENT OF OBESITY
  申请人：High Point Pharmaceuticals, LLC

  公开号：EP1625112B1

  公开（公告）日：2009-07-22
• Synthesis and biological evaluation of triazolothienopyrimidine derivatives as novel HIV-1 replication inhibitors
  作者：Junwon Kim、Jeongjin Kwon、Doohyun Lee、Suyeon Jo、Dong-Sik Park、Jihyun Choi、Eunjung Park、Jong Yeon Hwang、Yoonae Ko、Inhee Choi、Moon Kyeong Ju、JiYe Ahn、Junghwan Kim、Sung-Jun Han、Tae-Hee Kim、Jonathan Cechetto、Jiyoun Nam、Sujin Ahn、Peter Sommer、Michel Liuzzi、Zaesung No、Jinhwa Lee

  DOI：10.1016/j.bmcl.2012.10.134

  日期：2013.1

  We identified a novel class of triazolothienopyrimidine (TTPM) compounds as potent HIV-1 replication inhibitors during a high-throughput screening campaign that evaluated more than 200,000 compounds using a cell-based full replication assay. Herein, we report the optimization of the antiviral activity in a cell-based assay system leading to the discovery of aryl-substituted TTPM derivatives (38, 44, and 45), which exhibited significant inhibition of HIV-1 replication with acceptable safety margins. These novel and potent TTPMs could serve as leads for further development. (C) 2012 Elsevier Ltd. All rights reserved.