(5-dimethylamino-2-nitro-4-trifluoromethylphenyl)acetonitrile | 1071974-06-5

• 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: (5-dimethylamino-2-nitro-4-trifluoromethylphenyl)acetonitrile
• 英文别名: 2-[5-(dimethylamino)-2-nitro-4-(trifluoromethyl)phenyl]acetonitrile
• CAS: 1071974-06-5
• 化学式: C₁₁H₁₀F₃N₃O₂
• 分子量: 273.215
• InChiKey: POHINXIYCINZPV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  72.8
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  (5-dimethylamino-2-nitro-4-trifluoromethylphenyl)acetonitrile 在 palladium on activated charcoal 氢气 、 溶剂黄146 作用下， 以 乙醇 、 水 为溶剂， 反应 16.0h， 生成 Dimethyl-(6-trifluoromethyl-1H-indol-5-yl)amine
  参考文献：
  名称：

  (AZA)INDOLE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES

  摘要：

  公开号：

  EP2133332B1
• 作为产物：
  描述：

  2-二甲氨-5-硝基三氟甲苯 、 4-氯苯氧基乙腈 在 potassium tert-butylate 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 生成 (5-dimethylamino-2-nitro-4-trifluoromethylphenyl)acetonitrile
  参考文献：
  名称：

  (AZA)INDOLE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES

  摘要：

  公开号：

  EP2133332B1

文献信息

• (Aza)indole derivative and use thereof for medical purposes
  申请人：Kissei Pharmaceutical Co., Ltd.

  公开号：US08003647B2

  公开（公告）日：2011-08-23

  The present invention provides compounds useful as agents for the prevention or treatment of a disease associated with abnormal serum uric acid level which has a uricosuric activity or the like. The present invention relates to (aza)indole derivatives represented by the following general formula (I) having xanthine oxidase inhibitory activities and useful as agents for the prevention or treatment of a disease associated with abnormality of serum uric acid level, prodrugs thereof, or salts thereof. In the formula (I), T represents nitro or cyano and the like; ring J represents aryl or heteroaryl and the like; Q represents carboxy or 5-tetrazolyl and the like; Y represents H, OH, NH2, halogen, nitro, alkyl, alkoxy and the like; X1, X2 and X3 independently represent CR2 or N; R1 and R2 independently represent halogen, cyano, haloalkyl, A-D-E-G, —N(-D-E-G)2 and the like, in the formula, A represents a single bond, O, S and the like; D and G independently represent optionally substituted alkylene, cycloalkylene, heterocycloalkylene, arylene, heteroarylene and the like; E represents a single bond, O, S, COO, SO2 and the like.

  本发明提供了一种化合物，其具有利尿作用或类似作用，可用作预防或治疗与异常血清尿酸水平相关的疾病的药剂。本发明涉及以下通式（I）所代表的（氮）吲哚衍生物，其具有黄嘌呤氧化酶抑制活性，并可用作预防或治疗与血清尿酸水平异常相关的疾病的药剂、其前药或盐。在式（I）中，T代表硝基或氰基等；环J代表芳基或杂芳基等；Q代表羧基或5-四唑基等；Y代表H、OH、NH2、卤素、硝基、烷基、烷氧基等；X1、X2和X3独立地代表CR2或N；R1和R2独立地代表卤素、氰基、卤代烷基、A-D-E-G、—N(-D-E-G)2等，在该式中，A代表单键、O、S等；D和G独立地代表可选取代的烷基、环烷基、杂环烷基、芳基、杂芳基等；E代表单键、O、S、COO、SO2等。
• (aza)indole derivative and use thereof for medical purposes
  申请人：Shimizu Kazuo

  公开号：US08466152B2

  公开（公告）日：2013-06-18

  The present invention provides compounds useful as agents for the prevention or treatment of a disease associated with abnormal serum uric acid level which has a uricosuric activity or the like. The present invention relates to (aza)indole derivatives represented by the following general formula (I) having xanthine oxidase inhibitory activities and useful as agents for the prevention or treatment of a disease associated with abnormality of serum uric acid level, prodrugs thereof, or salts thereof. In the formula (I), T represents nitro or cyano and the like; ring J represents aryl or heteroaryl and the like; Q represents carboxy or 5-tetazolyl and the like; Y represents H, OH, NH2, halogen, nitro, alkyl, alkoxy and the like; X1, X2 and X3 independently represent CR2 or N; R1 and R2 independently represent halogen, cyano, haloalkyl, A-D-E-G, —N(-D-E-G)2 and the like, in the formula, A represents a single bond, O, S and the like; D and G independently represent optionally substituted alkylene, cycloalkylene, heterocycloalkylene, arylene, heteroarylene and the like; E represents a single bond, O, S, COO, SO2 and the like.

  本发明提供了化合物，其作为预防或治疗与异常血清尿酸水平相关的疾病的代理，具有利尿作用或类似作用。本发明涉及以下一般式（I）所代表的（氮）吲哚衍生物，具有黄嘌呤氧化酶抑制活性，可用作预防或治疗与血清尿酸水平异常相关的疾病的代理、其前药或其盐。在公式（I）中，T代表硝基、氰基等；环J代表芳基或杂环芳基等；Q代表羧基或5-四氮唑基等；Y代表H、OH、NH2、卤素、硝基、烷基、烷氧基等；X1、X2和X3独立地代表CR2或N；R1和R2独立地代表卤素、氰基、卤代烷基、A-D-E-G、-N（-D-E-G）2等，在公式中，A代表单键、O、S等；D和G独立地代表可选择的取代基的烷基、环烷基、杂环烷基、芳基、杂环芳基等；E代表单键、O、S、COO、SO2等。
• US8003647B2
  申请人：——

  公开号：US8003647B2

  公开（公告）日：2011-08-23
• US8466152B2
  申请人：——

  公开号：US8466152B2

  公开（公告）日：2013-06-18
• US8829040B2
  申请人：——

  公开号：US8829040B2

  公开（公告）日：2014-09-09