2-[(piperidin-4-ylmethyl)amino]pyrimidine-5-carboxylic acid ethyl ester | 604811-07-6

• 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-[(piperidin-4-ylmethyl)amino]pyrimidine-5-carboxylic acid ethyl ester
• 英文别名: Ethyl 2-(piperidin-4-ylmethylamino)pyrimidine-5-carboxylate
• CAS: 604811-07-6
• 化学式: C₁₃H₂₀N₄O₂
• 分子量: 264.327
• InChiKey: KPGJJXWWGRTYGI-UHFFFAOYSA-N

物化性质

• 沸点：
  427.8±41.0 °C(Predicted)
• 密度：
  1.158±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  19
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  76.1
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-[(piperidin-4-ylmethyl)amino]pyrimidine-5-carboxylic acid ethyl ester 在 sodium hydroxide 、 1-羟基苯并三唑 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 、 三乙胺 、 三氟乙酸 作用下， 以 四氢呋喃 、 甲醇 、 乙醇 、 二氯甲烷 为溶剂， 反应 207.0h， 生成 N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methylamino]pyrimidine-5-carboxamide
  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 在 盐酸 、 sodium hydride 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 9.0h， 生成 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

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.
• MONO-HYDROCHLORIC SALTS OF AN INHIBITOR OF HISTONE DEACETYLASE
  申请人：Dickens Julius W.J.

  公开号：US20100130523A1

  公开（公告）日：2010-05-27

  This invention provides novel crystalline forms of mono-HCl salts and a mono-HCl salt hydrate of JNJ-26481585, an inhibitor of histone deacetylases. The invention also relates to processes for production of these forms, to intermediates used in these processes, to pharmaceutical compositions comprising these forms, and to the use of these forms in medical treatment for instance as a medicine to inhibit proliferative conditions, such as cancer and leukemia.
• 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