N-{2-{6-[(2-ethyl-5,7-dimethyl-3H-imidazo[4,5-b]pyridin-3-yl)methyl] quinolin-2-yl}phenyl}trifluoromethanesulfonamide | 200639-61-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: N-{2-{6-[(2-ethyl-5,7-dimethyl-3H-imidazo[4,5-b]pyridin-3-yl)methyl] quinolin-2-yl}phenyl}trifluoromethanesulfonamide
• 英文别名: 6-{(2-Ethyl-5,7-dimethyl-3H-imidazo[4,5-b]pyridin-3-yl)methyl}-2-[(2-trifluoromethanesulfonamido)phenyl]quinoline；GA 0113；N-{2-{6-[(2-ethyl-5,7-dimethyl-3H-imidazo[4,5-b]pyridin-3-yl)methyl]quinolin-2-yl}phenyl}trifluoromethanesulfonamide；FU8Ucy2lpx；N-[2-[6-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]quinolin-2-yl]phenyl]-1,1,1-trifluoromethanesulfonamide
• CAS: 200639-61-8
• 化学式: C₂₇H₂₄F₃N₅O₂S
• 分子量: 539.581
• InChiKey: GDHVAFNGEXASMP-UHFFFAOYSA-N

物化性质

• 熔点：
  252.0 °C
• 沸点：
  691.6±65.0 °C(Predicted)
• 密度：
  1.40±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  38
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  98.2
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  2-乙酰苯甲酸 在 喹啉 、 sodium hydroxide 、 N-溴代丁二酰亚胺(NBS) 、 氯化亚砜 、 硫酸 、 叠氮磷酸二苯酯 、 sodium hydride 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 N-{2-{6-[(2-ethyl-5,7-dimethyl-3H-imidazo[4,5-b]pyridin-3-yl)methyl] quinolin-2-yl}phenyl}trifluoromethanesulfonamide
  参考文献：
  名称：

  A novel trifluoromethanesulfonamidophenyl-substituted quinoline derivative, GA 0113: synthesis and pharmacological profiles

  摘要：

  The trifluoromethanesulfonamidophenyl-substituted quineline GA 0113 have been synthesized from o-nitrobenzoyl chloride via a multistep process. GA 0113 displaced specific binding of [I-125]-Sar1, Ile(8)-Ang II to AT(1) receptors in membrane from Sf9 cells. In concious normotensive dogs, GA 0113 inhibited the Ang II-induced presser response with ID50 of 0.032 mg/kg and dose-dependently increased plasma renin activity for 48 h. (C) 2001 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-1139(01)00383-9

文献信息

• Crystal of N-((quinolin-2-yl)-phenyl)sulfonamides and process for producing the same
  申请人：ASAHI GLASS COMPANY LTD.

  公开号：EP0812841A1

  公开（公告）日：1997-12-17

  A crystal of an N-[(quinolin-2-yl)phenyl]sulfonamide represented by the following formula (1) or a crystal of a salt thereof: the substituents are defined in the specification is described. The crystal is useful as a pressor pharmaceutical compound. A process for producing the crystal is also described.

  描述了以下公式（1）所代表的N-[(喹啉-2-基)苯基]磺酰胺的晶体或其盐的晶体：取代基在说明书中定义。该晶体可用作升压药物化合物。还描述了制备该晶体的过程。
• Preventives/remedies for muscle tissue degenerations
  申请人：Yoshitomi Pharmaceutical Industries, Ltd.

  公开号：US06060480A1

  公开（公告）日：2000-05-09

  An agent for the prophylaxis or treatment of muscle tissue degeneration, containing, as an active ingredient, a quinoline compound of the formula (I): ##STR1## or a pharmaceutically acceptable salt. The prophylactic or therapeutic agent of muscle tissue degeneration of the present invention contains a quinoline compound of the formula (I) or a pharmaceutically acceptable salt thereof as an active ingredient, and shows remarkable inhibitory or improving action on degeneration of the muscle tissues such as necrosis, fibrosis, calcification and the like. The agent is specifically useful for the prophylaxis and treatment of cardiomyopathy, muscular dystrophy, pulmonary fibrosis and the like.

  一种用于肌肉组织退化的预防或治疗的药剂，其包含一种喹啉化合物作为活性成分，该喹啉化合物的化学式为(I)：##STR1##或其药学上可接受的盐。本发明的肌肉组织退化的预防或治疗剂包含化学式(I)的喹啉化合物或其药学上可接受的盐作为活性成分，并且对肌肉组织的退化，如坏死、纤维化、钙化等，表现出显著的抑制或改善作用。该药剂特别适用于预防和治疗心肌病、肌萎缩症、肺纤维化等。
• 2-Arylquinolines and process for producing the same
  申请人：ASAHI GLASS COMPANY LTD.

  公开号：EP0786460A2

  公开（公告）日：1997-07-30

  2-Arylquinolines represented by formula (1): wherein R1, R3 to R9 each represents hydrogen, halogen, lower alkyl, cyclic lower alkyl, aryl, aralkyl, alkoxy or -CmF2m+1; R2 represents hydrogen, halogen, lower alkyl, cyclic lower alkyl, aryl, aralkyl, alkoxy, CnF2n+1 or -CH2Q, in which Q represents a monovalent organic group obtained by eliminating from an organic compound having -NH- the hydrogen atom bonded to the nitrogen, or halogen; X represents halogen or hydrogen; Y represents nitro or amino which may be protected with a protecting group; and m and n each represents an integer of from 1 to 6; and processes for producing the 2-arylquinolines.

  由式(1)代表的 2-芳基喹啉： 其中 R1、R3 至 R9 各自代表氢、卤素、低级烷基、环状低级烷基、芳基、芳烷基、烷氧基或 -CmF2m+1；R2 代表氢、卤素、低级烷基、环状低级烷基、芳基、芳烷基、烷氧基、CnF2n+1 或 -CH2Q，其中 Q 代表从具有 -NH- 的有机化合物中除去与氮结合的氢原子或卤素而得到的一价有机基团； X代表卤素或氢；Y代表硝基或氨基，可被保护基团保护；m和n各代表1至6的整数；以及生产2-芳基喹啉的工艺。
• PREVENTIVES/REMEDIES FOR MUSCLE TISSUE DEGENERATIONS
  申请人：YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD.

  公开号：EP0920866A1

  公开（公告）日：1999-06-09

  An agent for the prophylaxis or treatment of muscle tissue degeneration, containing, as an active ingredient, a quinoline compound of the formula (I) : or a pharmaceutically acceptable salt. The prophylactic or therapeutic agent of muscle tissue degeneration of the present invention contains a quinoline compound of the formula (I) or a pharmaceutically acceptable salt thereof as an active ingredient, and shows remarkable inhibitory or improving action on degeneration of the muscle tissues such as necrosis, fibrosis, calcification and the like. The agent is specifically useful for the prophylaxis and treatment of cardiomyopathy, muscular dystrophy, pulmonary fibrosis and the like.

  一种预防或治疗肌肉组织变性的制剂，其活性成分含有式 (I) ： 或药学上可接受的盐。本发明的肌肉组织变性预防或治疗剂含有式（I）的喹啉化合物或其药学上可接受的盐作为活性成分，对肌肉组织的变性，如坏死、纤维化、钙化等有显著的抑制或改善作用。该制剂特别适用于心肌病、肌肉萎缩症、肺纤维化等疾病的预防和治疗。
• 肺高血圧症予防治療剤
  申请人：——

  公开号：JP2001039874A

  公开（公告）日：2001-02-13

  (57)【要約】 （修正有）\n【課題】 肺高血圧症予防治療剤を提供する。\n【解決手段】 下記一般式（Ｉ）：で表されるキノリン化合物またはその医薬上許容される塩を有効成分として含有する肺高血圧症予防治療剤。\n化合物の具体的一例を示すと、Ｎ−｛２−｛６−［（２−エチル−５，７−ジメチル−３Ｈ−イミダゾ［４，５−ｂ］ピリジン−３−イル）メチル］キノリン−２−イル｝フェニル｝トリフルオロメタンスルホンアミドである。

  (57) [摘要]（有修改）． [问题]提供一种肺动脉高压预防治疗剂。\解决方法]在肺动脉高压预防性治疗剂中含有由以下通式（I）代表的喹啉化合物或其药学上可接受的盐作为活性成分。\喹啉化合物的一个具体例子是 N-2-6-[（2-乙基-5,7-二甲基-3HN-2-6-[(2-乙基-5,7-二甲基-3H-咪唑并[4,5-b]吡啶-3-基]甲基]喹啉-2-基}苯基}三氟甲磺酰胺。以下是三氟甲磺酰胺的实例。