1-(2-(4-chlorophenoxy)ethyl)piperazine hydrochloride

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1-(2-(4-chlorophenoxy)ethyl)piperazine hydrochloride
• 英文别名: 1-[2-(4-Chlorophenoxy)ethyl]piperazine hydrochloride；1-[2-(4-chlorophenoxy)ethyl]piperazine;hydrochloride
• 化学式: C₁₂H₁₇ClN₂O*ClH
• 分子量: 277.194
• InChiKey: GWKJZLIIGZZCKX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.05
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  24.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(2-(4-chlorophenoxy)ethyl)piperazine hydrochloride 在 盐酸 、 N,N-二异丙基乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下， 以 1,4-二氧六环 、 N,N-二甲基甲酰胺 为溶剂， 反应 18.0h， 生成 tert-butyl N-[(2S)-1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazine-1-carbonyl]anilino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]carbamate
  参考文献：
  名称：

  [EN] BET PROTEIN INHIBITORS AND USE THEREOF
  [FR] INHIBITEURS DE PROTÉINE BET ET UTILISATION ASSOCIÉE

  摘要：

  Methods for the treatment of condition associated with bromodomain and extraterminal domain (BET) protein activity are disclosed. The methods include administering a therapeutically effective amount of a piperazine BET protein inhibitor or a piperidine BET protein inhibitor to a subject in need thereof. Piperazine BET protein inhibitors, piperidine BET protein inhibitors, and pharmaceutical compositions comprising the BET proteins inhibitors are also described.

  公开号：

  WO2022187371A1
• 作为产物：
  描述：

  在 盐酸 作用下， 以 1,4-二氧六环 为溶剂， 生成 1-(2-(4-chlorophenoxy)ethyl)piperazine hydrochloride
  参考文献：
  名称：

  [EN] BET PROTEIN INHIBITORS AND USE THEREOF
  [FR] INHIBITEURS DE PROTÉINE BET ET UTILISATION ASSOCIÉE

  摘要：

  Methods for the treatment of condition associated with bromodomain and extraterminal domain (BET) protein activity are disclosed. The methods include administering a therapeutically effective amount of a piperazine BET protein inhibitor or a piperidine BET protein inhibitor to a subject in need thereof. Piperazine BET protein inhibitors, piperidine BET protein inhibitors, and pharmaceutical compositions comprising the BET proteins inhibitors are also described.

  公开号：

  WO2022187371A1