(R)-2-(3-(2-(3-(trifluoromethyl)benzamido)acetamido)pyrrolidin-1-yl)ethyl methanesulfonate | 1261061-88-4

• 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: (R)-2-(3-(2-(3-(trifluoromethyl)benzamido)acetamido)pyrrolidin-1-yl)ethyl methanesulfonate
• CAS: 1261061-88-4
• 化学式: C₁₇H₂₂F₃N₃O₅S
• 分子量: 437.44
• InChiKey: OQSXGVBGNKZTJV-CQSZACIVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  29.0
• 可旋转键数：
  8.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  104.81
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  (R)-2-(3-(2-(3-(trifluoromethyl)benzamido)acetamido)pyrrolidin-1-yl)ethyl methanesulfonate 、 1-苯甲酰哌嗪 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 生成 N-{[1-(2-(4-benzoylpiperazine-1-yl)ethyl)-pyrrolidine-(3R)-yl-carbamoyl]-methyl}-3-triofluoromethylbenzamide
  参考文献：
  名称：

  Synthesis and biological evaluation of 3-aminopyrrolidine derivatives as CC chemokine receptor 2 antagonists

  摘要：

  Novel 3-aminopyrrolidine derivatives were synthesized and evaluated for their antagonistic activity against human chemokine receptor 2. Structure-activity studies on 3-aminopyrrolidine incorporating heteroatomic carbocycle moieties led to piperidine compound 19, and piperazine compounds 42, 47 and 49 as highly potent hCCR2 antagonists. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.02.072
• 作为产物：
  描述：

  N-{[1-(2-hydroxyethyl)-pyrrolidine-(3R)-yl-carbamoyl]-methyl}-3-trifluoromethylbenzamide 、 甲基磺酰氯 在 三乙胺 作用下， 生成 (R)-2-(3-(2-(3-(trifluoromethyl)benzamido)acetamido)pyrrolidin-1-yl)ethyl methanesulfonate
  参考文献：
  名称：

  Synthesis and biological evaluation of 3-aminopyrrolidine derivatives as CC chemokine receptor 2 antagonists

  摘要：

  Novel 3-aminopyrrolidine derivatives were synthesized and evaluated for their antagonistic activity against human chemokine receptor 2. Structure-activity studies on 3-aminopyrrolidine incorporating heteroatomic carbocycle moieties led to piperidine compound 19, and piperazine compounds 42, 47 and 49 as highly potent hCCR2 antagonists. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.02.072