2-[(2-甲基-2-丙基)氨基]-1-(1-哌啶基)乙酮 | 461438-26-6

• 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
• 中文名称: 2-[(2-甲基-2-丙基)氨基]-1-(1-哌啶基)乙酮
• 英文名称: Piperidine, 1-[[(1,1-dimethylethyl)amino]acetyl]-
• 英文别名: 2-(tert-butylamino)-1-piperidin-1-ylethanone
• CAS: 461438-26-6
• 化学式: C₁₁H₂₂N₂O
• mdl: MFCD03250555
• 分子量: 198.308
• InChiKey: IEIYVPPNOJLTDR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.909
• 拓扑面积：
  32.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-[(2-甲基-2-丙基)氨基]-1-(1-哌啶基)乙酮 、 乙酰氯 在 三乙胺 作用下， 以 乙酸乙酯 为溶剂， 反应 1.0h， 生成 N-tertbutyl-N-[2-oxo-2-(1-piperidinyl)ethyl]-acetamide
  参考文献：
  名称：

  The tert-Butyl Side Chain: A Powerful Means to Lock Peptoid Amide Bonds in the Cis Conformation

  摘要：

  The very simple sterically hindered tert-butyl side chain exerts complete control over the peptoid amide geometry which only exists in the cis conformation. It is exemplified in NtBu glycine homo-oligomers and in linear oligopeptoids designed with an alternating cis-trans backbone amide pattern.

  DOI：

  10.1021/ol400820y
• 作为产物：
  描述：

  哌啶 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 生成 2-[(2-甲基-2-丙基)氨基]-1-(1-哌啶基)乙酮
  参考文献：
  名称：

  The tert-Butyl Side Chain: A Powerful Means to Lock Peptoid Amide Bonds in the Cis Conformation

  摘要：

  The very simple sterically hindered tert-butyl side chain exerts complete control over the peptoid amide geometry which only exists in the cis conformation. It is exemplified in NtBu glycine homo-oligomers and in linear oligopeptoids designed with an alternating cis-trans backbone amide pattern.

  DOI：

  10.1021/ol400820y

文献信息

• AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS
  申请人：Epizyme, Inc.

  公开号：US20170355712A1

  公开（公告）日：2017-12-14

  The present disclosure relates to amine-substituted aryl or heteroaryl compounds. The present disclosure also relates to pharmaceutical compositions containing these compounds and methods of treating a disorder (e.g., sickle cell anemia) via inhibition of a methyltransferase enzyme selected from EHMT1 and EHMT2, by administering an amine-substituted aryl or heteroaryl compound disclosed herein or a pharmaceutical composition thereof to subjects in need thereof. The present disclosure also relates to the use of such compounds for research or other non-therapeutic purposes.
• The <i>tert</i>-Butyl Side Chain: A Powerful Means to Lock Peptoid Amide Bonds in the Cis Conformation
  作者：O. Roy、C. Caumes、Y. Esvan、C. Didierjean、S. Faure、C. Taillefumier

  DOI：10.1021/ol400820y

  日期：2013.5.3

  The very simple sterically hindered tert-butyl side chain exerts complete control over the peptoid amide geometry which only exists in the cis conformation. It is exemplified in NtBu glycine homo-oligomers and in linear oligopeptoids designed with an alternating cis-trans backbone amide pattern.