1-(2,5-bistrifluoromethylphenyl)-2-(imidazol-1-yl)ethylamine | 545410-54-6

• 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: 1-(2,5-bistrifluoromethylphenyl)-2-(imidazol-1-yl)ethylamine
• 英文别名: 1-[2,5-Bis(trifluoromethyl)phenyl]-2-imidazol-1-ylethanamine
• CAS: 545410-54-6
• 化学式: C₁₃H₁₁F₆N₃
• 分子量: 323.241
• InChiKey: JECCVLGZGGXHGC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  43.8
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  N-氰基羰亚胺二苯基酯 、 1-(2,5-bistrifluoromethylphenyl)-2-(imidazol-1-yl)ethylamine 以 乙腈 为溶剂， 反应 18.0h， 以55%的产率得到N-[1-(2,5-bistrifluoromethylphenyl)-2-(imidazol-1-yl)-ethyl]-N'-cyano-phenylureanate
  参考文献：
  名称：

  (1-phenyl-2-heteroaryl)ethyl-guanidine compounds as inhibitors of mitochondrial F1F0 ATP hydrolase

  摘要：

  具有化学式（I）的化合物及其药用盐对调节线粒体F1F0ATP酶活性和治疗包括心肌梗死、充血性心力衰竭和心律失常在内的缺血性疾病具有用处。

  公开号：

  US20040039033A1
• 作为产物：
  描述：

  2,5-双(三氟甲基)苯甲酰氯 在 sodium tetrahydroborate 、 三丁基膦 、 diazabicycloundecane 、 叠氮磷酸二苯酯 、 水 、 溴 、 溶剂黄146 、 三苯基膦 作用下， 以 四氢呋喃 、 乙醇 、 乙腈 为溶剂， 生成 1-(2,5-bistrifluoromethylphenyl)-2-(imidazol-1-yl)ethylamine
  参考文献：
  名称：

  N -[1-Aryl-2-(1-imidazolo)ethyl]-guanidine derivatives as potent inhibitors of the bovine mitochondrial F 1 F 0 ATP hydrolase

  摘要：

  A series of substituted guanidine derivatives were prepared and evaluated as potent and selective inhibitors of mitochondrial F1F0 ATP hydrolase. The initial thiourethane derived lead molecules possessed intriguing in vitro pharmacological profiles, though contained moieties considered non-drug-like. Analogue synthesis efforts led to compounds with maintained potency and superior physical properties. Small molecules in this series which potently and selectivity inhibit ATP hydrolase and not ATP synthase may have utility as cardioprotective agents. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.11.077

文献信息

• US6916813B2
  申请人：——

  公开号：US6916813B2

  公开（公告）日：2005-07-12
• N -[1-Aryl-2-(1-imidazolo)ethyl]-guanidine derivatives as potent inhibitors of the bovine mitochondrial F 1 F 0 ATP hydrolase
  作者：Karnail S. Atwal、Saleem Ahmad、Charles Z. Ding、Philip D. Stein、John Lloyd、Lawrence G. Hamann、David W. Green、Francis N. Ferrara、Paulina Wang、W.Lynn Rogers、Lidia M. Doweyko、Arthur V. Miller、Sharon N. Bisaha、Joan B. Schmidt、Ling Li、Kenneth J. Yost、Hsi-Jung Lan、Cort S. Madsen

  DOI：10.1016/j.bmcl.2003.11.077

  日期：2004.2

  A series of substituted guanidine derivatives were prepared and evaluated as potent and selective inhibitors of mitochondrial F1F0 ATP hydrolase. The initial thiourethane derived lead molecules possessed intriguing in vitro pharmacological profiles, though contained moieties considered non-drug-like. Analogue synthesis efforts led to compounds with maintained potency and superior physical properties. Small molecules in this series which potently and selectivity inhibit ATP hydrolase and not ATP synthase may have utility as cardioprotective agents. (C) 2003 Elsevier Ltd. All rights reserved.
• (1-phenyl-2-heteroaryl)ethyl-guanidine compounds as inhibitors of mitochondrial F1F0 ATP hydrolase
  申请人：——

  公开号：US20040039033A1

  公开（公告）日：2004-02-26

  Compounds having the formula (I), and pharmaceutically acceptable salts thereof, 1 are useful for modulating mitochondrial F 1 F 0 ATPase activity and treating ischemic conditions including myocardial infarction, congestive heart failure, and cardiac arrhythmias.

  具有化学式（I）的化合物及其药用盐对调节线粒体F1F0ATP酶活性和治疗包括心肌梗死、充血性心力衰竭和心律失常在内的缺血性疾病具有用处。