2-[(1-tert-butoxycarbonylpiperidin-4-ylmethyl)amino]pyrimidine-5-carboxylic acid ethyl ester | 604811-06-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 2-[(1-tert-butoxycarbonylpiperidin-4-ylmethyl)amino]pyrimidine-5-carboxylic acid ethyl ester
• 英文别名: Ethyl 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]pyrimidine-5-carboxylate
• CAS: 604811-06-5
• 化学式: C₁₈H₂₈N₄O₄
• 分子量: 364.445
• InChiKey: IGKQADPWKGQZRN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  26
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  93.6
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  2-[(1-tert-butoxycarbonylpiperidin-4-ylmethyl)amino]pyrimidine-5-carboxylic acid ethyl ester 在 盐酸 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 6.0h， 以33%的产率得到2-[(piperidin-4-ylmethyl)amino]pyrimidine-5-carboxylic acid ethyl ester
  参考文献：
  名称：

  Discovery of pyrimidyl-5-hydroxamic acids as new potent histone deacetylase inhibitors

  摘要：

  A series of pyrimidyl-5-hydroxamic acids was prepared for evaluation as inhibitors of histone deacetylase (HDAC). Amino-2-pyrimidinyl can be used as a linker to provide HDAC inhibitors of good enzymatic potency. (c) 2005 Elsevier SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2005.01.008
• 作为产物：
  描述：

  2-甲砜基-5-嘧啶甲酸乙酯 、 1-叔丁氧羰基-4-氨甲基哌啶 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 3.0h， 以35%的产率得到2-[(1-tert-butoxycarbonylpiperidin-4-ylmethyl)amino]pyrimidine-5-carboxylic acid ethyl ester
  参考文献：
  名称：

  Discovery of pyrimidyl-5-hydroxamic acids as new potent histone deacetylase inhibitors

  摘要：

  A series of pyrimidyl-5-hydroxamic acids was prepared for evaluation as inhibitors of histone deacetylase (HDAC). Amino-2-pyrimidinyl can be used as a linker to provide HDAC inhibitors of good enzymatic potency. (c) 2005 Elsevier SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2005.01.008

文献信息

• AMINO-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE
  申请人：Angibaud Patrick Rene

  公开号：US20090227558A1

  公开（公告）日：2009-09-10

  This invention comprises the novel compounds of formula (I) wherein n, m, t, R 1 , R 2 , L, Q, X, Y, Z and have defined meanings, having histone deacetylase inhibiting enzymatic activity; their preparation, compositions containing them and their use as a medicine.
• Amino-Derivatives As Novel Inhibitors Of Histone Deacetylase
  申请人：Angibaud Patrick René

  公开号：US20120252790A1

  公开（公告）日：2012-10-04

  This invention comprises the novel compounds of formula (I) wherein n, m, t, R 1 , R 2 , L, Q, X, Y, Z and have defined meanings, having histone deacetylase inhibiting enzymatic activity; their preparation, compositions containing them and their use as a medicine.
• US7541369B2
  申请人：——

  公开号：US7541369B2

  公开（公告）日：2009-06-02
• US8524711B2
  申请人：——

  公开号：US8524711B2

  公开（公告）日：2013-09-03
• US8916554B2
  申请人：——

  公开号：US8916554B2

  公开（公告）日：2014-12-23