1,4-bis(tert-butoxycarbonyl)-2-ethylpiperazine-2-carboxylic acid

• 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: 1,4-bis(tert-butoxycarbonyl)-2-ethylpiperazine-2-carboxylic acid
• 英文别名: 2-Ethyl-1,4-bis[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid；2-ethyl-1,4-bis[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid
• 化学式: C₁₇H₃₀N₂O₆
• 分子量: 358.435
• InChiKey: LWYIKDGZDGHHKO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  96.4
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1,4-bis(tert-butoxycarbonyl)-2-ethylpiperazine-2-carboxylic acid 在 4-二甲氨基吡啶 作用下， 生成 di-tert-butyl 2-chloro-6a-ethyl-6-oxo-6a,7,9,10-tetrahydro-5H-pyrazino[1',2':4,5]pyrazino[2,3-c]pyridazine-5,8(6H)-dicarboxylate
  参考文献：
  名称：

  BRM Targeting Compounds And Associated Methods Of Use

  摘要：

  The disclosure is directed to compounds of Formula I Pharmaceutical compositions comprising compounds of Formula I, as well as methods of their use and preparation, are also described.

  公开号：

  US20230365576A1
• 作为产物：
  描述：

  1,4-di-tert-butyl 2-methyl 2-ethylpiperazine-1,2,4-tricarboxylate 在 lithium hydroxide 作用下， 以99 %的产率得到1,4-bis(tert-butoxycarbonyl)-2-ethylpiperazine-2-carboxylic acid
  参考文献：
  名称：

  BRM Targeting Compounds And Associated Methods Of Use

  摘要：

  The disclosure is directed to compounds of Formula I Pharmaceutical compositions comprising compounds of Formula I, as well as methods of their use and preparation, are also described.

  公开号：

  US20230365576A1

文献信息

• COMPOUNDS, THEIR PHARMACEUTICAL COMPOSITIONS AND THEIR USES AS IDH1 MUTANTS INHIBITORS FOR TREATING CANCERS
  申请人：Agios Pharmaceuticals, Inc.

  公开号：EP2721033B1

  公开（公告）日：2016-12-07
• THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE
  申请人：AGIOS PHARMACEUTICALS, INC

  公开号：US20170210749A1

  公开（公告）日：2017-07-27

  Provided are compounds of formula (I), wherein X, Y, Z, W, V, R 2 , R 3 and m are defined as in the description. Their pharmaceutical compositions and their uses for treating cancers are also provided.
• BRM Targeting Compounds And Associated Methods Of Use
  申请人：Prelude Therapeutics Incorporated

  公开号：US20230365576A1

  公开（公告）日：2023-11-16

  The disclosure is directed to compounds of Formula I Pharmaceutical compositions comprising compounds of Formula I, as well as methods of their use and preparation, are also described.