tert-butyl 4-[2-[(3R)-3-[[2-[[3-(trifluoromethyl)benzoyl]amino]acetyl]amino]pyrrolidin-1-yl]ethyl]piperidine-1-carboxylate | 1232885-31-2

• 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: tert-butyl 4-[2-[(3R)-3-[[2-[[3-(trifluoromethyl)benzoyl]amino]acetyl]amino]pyrrolidin-1-yl]ethyl]piperidine-1-carboxylate
• CAS: 1232885-31-2
• 化学式: C₂₆H₃₇F₃N₄O₄
• 分子量: 526.599
• InChiKey: AVUOUEJXMGKYJD-OAQYLSRUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  37
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  91
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  tert-butyl 4-[2-[(3R)-3-[[2-[[3-(trifluoromethyl)benzoyl]amino]acetyl]amino]pyrrolidin-1-yl]ethyl]piperidine-1-carboxylate 在 盐酸 作用下， 以 乙醇 为溶剂， 生成 N-[2-oxo-2-[[(3R)-1-(2-piperidin-4-ylethyl)pyrrolidin-3-yl]amino]ethyl]-3-(trifluoromethyl)benzamide
  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：

  (R)-N-(2-氧代-2-(吡咯烷-3-基氨基)乙基)-3-(三氟甲基)苯甲酰胺 、 1-N-Boc-O-甲磺酰－羟乙基哌啶 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 生成 tert-butyl 4-[2-[(3R)-3-[[2-[[3-(trifluoromethyl)benzoyl]amino]acetyl]amino]pyrrolidin-1-yl]ethyl]piperidine-1-carboxylate
  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

文献信息

• [EN] 3-AMINOPYRROLIDINE DERIVATIVES AS CCR2 ANTAGONISTS<br/>[FR] DÉRIVÉS DE 3-AMINOPYRROLIDINE EN TANT QU'ANTAGONISTES DE CCR2
  申请人：YANG JI CHEMICAL CO LTD

  公开号：WO2010074409A2

  公开（公告）日：2010-07-01

  본 발명은 CCR2 (chemokine receptor 2) 길항 효과를 나타내는 화학식 1의 화합물, 이것의 염 또는 이성체 등에 관한 것으로서, 이러한 화합물은 류마티스 관절염, 동맥경화증, 다발성경화증, 천식 및 기타 CCR2에 관련된 여러 질환을 치료, 예방 또는 개선하는 데 유용하다.