ethyl 2-{[1-(naphthalene-2-sulfonyl)piperidin-4-ylmethyl]amino}pyrimidine-5-carboxylate | 604811-19-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: ethyl 2-{[1-(naphthalene-2-sulfonyl)piperidin-4-ylmethyl]amino}pyrimidine-5-carboxylate
• 英文别名: Ethyl 2-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methylamino]pyrimidine-5-carboxylate
• CAS: 604811-19-0
• 化学式: C₂₃H₂₆N₄O₄S
• 分子量: 454.55
• InChiKey: VPXILKPOLAWAKQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  32
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  110
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  ethyl 2-{[1-(naphthalene-2-sulfonyl)piperidin-4-ylmethyl]amino}pyrimidine-5-carboxylate 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 反应 3.0h， 以81%的产率得到sodium 2-{[1-(naphthalene-2-sulfonyl)piperidin-4-ylmethyl]amino}pyrimidine-5-carboxylate
  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 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 、 水 为溶剂， 反应 21.0h， 生成 ethyl 2-{[1-(naphthalene-2-sulfonyl)piperidin-4-ylmethyl]amino}pyrimidine-5-carboxylate
  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