2-(2-吡咯烷乙基)氨基甲酸叔丁酯 | 1263378-93-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 中文名称: 2-(2-吡咯烷乙基)氨基甲酸叔丁酯
• 英文名称: (2-Pyrrolidin-2-yl-ethyl)-carbamic acid tert-butyl ester
• 英文别名: tert-butyl N-(2-pyrrolidin-2-ylethyl)carbamate
• CAS: 1263378-93-3
• 化学式: C₁₁H₂₂N₂O₂
• 分子量: 214.3
• InChiKey: UNANQGCDACTJPA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  50.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(2-吡咯烷乙基)氨基甲酸叔丁酯 、 在 N,N-二异丙基乙胺 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 作用下， 以 四氢呋喃 为溶剂， 以67 %的产率得到tert-butyl (2-(1-((2-(3-((S)-3-(3-(4-(1H-pyrazol-4-yl)benzyl)-3-cyclopropylureido)piperidin-1-yl)phenoxy)-2-methyl propanol)-glycyl)pyrrolidin-2-yl)ethyl)carbamate
  参考文献：
  名称：

  Discovery of Novel 1-Phenylpiperidine Urea-Containing Derivatives Inhibiting β-Catenin/BCL9 Interaction and Exerting Antitumor Efficacy through the Activation of Antigen Presentation of cDC1 Cells

  摘要：

  DOI：

  10.1021/acs.jmedchem.3c02079

文献信息

• CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF, AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS
  申请人：Gillard James

  公开号：US20080132496A1

  公开（公告）日：2008-06-05

  Substituted carboxylic acid amides of general formula wherein A, B, and R 1 to R 5 are as defined herein, and the tautomers and the salts thereof, particularly the physiologically acceptable salts thereof with inorganic or organic acids or bases, which have valuable properties, such as antithrombotic activity and factor Xa-inhibiting activity.

  通式为的取代羧酸酰胺，其中A、B和R1至R5的定义如本文所述，以及它们的互变异构体和盐，特别是与无机或有机酸或碱的生理上可接受的盐，具有有价值的性质，如抗血栓活性和Xa因子抑制活性。
• NOVEL SUBSTITUTED NUCLEOSIDE ANALOGUES FOR USE AS PRMT5 INHIBITORS
  申请人：Janssen Pharmaceutica NV

  公开号：US20200289539A1

  公开（公告）日：2020-09-17

  The present invention relates novel substituted nucleoside analogues of Formula (I) wherein the variables have the meaning defined in the claims. The compounds according to the present invention are useful as PRMT5 inhibitors. The invention further relates to pharmaceutical compositions comprising said compounds as an active ingredient as well as the use of said compounds as a medicament.
• US7326791B2
  申请人：——

  公开号：US7326791B2

  公开（公告）日：2008-02-05