Methyl 2-[2-(trifluoromethyl)anilino]acetate | 1021104-39-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: Methyl 2-[2-(trifluoromethyl)anilino]acetate
• CAS: 1021104-39-1
• 化学式: C₁₀H₁₀F₃NO₂
• mdl: MFCD11151333
• 分子量: 233.19
• InChiKey: OREDYBRXZYRIPC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  溴乙酸甲酯 、 邻氨基三氟甲苯 在 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 Methyl 2-[2-(trifluoromethyl)anilino]acetate
  参考文献：
  名称：

  Synthesis and biological evaluation of 1,4-diazepane derivatives as T-type calcium channel blockers

  摘要：

  We have synthesized and biologically evaluated 1,4-diazepane derivatives as T-type calcium channel blockers. In this study, we discovered compound 4s, a potential T-type calcium channel blocker with good selectivity over hERG and N-type calcium channels. In addition, it exhibited favorable pharmacokinetic characteristics for further investigation of T-type calcium channel related diseases. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.03.084

文献信息

• SERINE PROTEASE INHIBITORS
  申请人：ELI LILLY AND COMPANY

  公开号：EP1289950A1

  公开（公告）日：2003-03-12
• [EN] SERINE PROTEASE INHIBITORS<br/>[FR] INHIBITEURS DE PROTEASE A SERINE
  申请人：LILLY CO ELI

  公开号：WO2001096296A1

  公开（公告）日：2001-12-20

  Compounds of formula (I) in which R2, X, Y, Cy, L and Lp(D)n have the meanings given in the specification, are inhibitors of the serine protease, Factor Xa and are useful in the treatment of cardiovascular disorders.
• [EN] SERINE PROTEASE INHIBITORS<br/>[FR] INHIBITEURS DE SERINE PROTEASE
  申请人：LILLY CO ELI

  公开号：WO2001096323A1

  公开（公告）日：2001-12-20

  Compounds of formula (I) in which R2, X, Y, Cy, L and Lp(D)n have the meanings given in the specification, are inhibitors of the serine protease, Factor Xa and are useful in the treatment of cardiovascular disorders.