Ethyl 2-(2-(aminomethyl)morpholino)pyrimidine-5-carboxylate | 915124-64-0

• 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: Ethyl 2-(2-(aminomethyl)morpholino)pyrimidine-5-carboxylate
• 英文别名: ethyl 2-[2-(aminomethyl)morpholin-4-yl]pyrimidine-5-carboxylate
• CAS: 915124-64-0
• 化学式: C₁₂H₁₈N₄O₃
• 分子量: 266.3
• InChiKey: JQCBQWHUWXDALR-UHFFFAOYSA-N

物化性质

• 沸点：
  453.4±55.0 °C(Predicted)
• 密度：
  1.219±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  90.6
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  乙醇醛二聚体 、 Ethyl 2-(2-(aminomethyl)morpholino)pyrimidine-5-carboxylate 、 反式-BETA-苯乙烯硼酸 以 乙醇 为溶剂， 反应 96.0h， 生成 ethyl 2-[2-[[[(E)-1-hydroxy-4-phenylbut-3-en-2-yl]amino]methyl]morpholin-4-yl]pyrimidine-5-carboxylate
  参考文献：
  名称：

  WO2006/122926

  摘要：

  公开号：
• 作为产物：
  描述：

  Ethyl 2-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]morpholin-4-yl]pyrimidine-5-carboxylate 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 生成 Ethyl 2-(2-(aminomethyl)morpholino)pyrimidine-5-carboxylate
  参考文献：
  名称：

  Identification of a series of substituted 2-piperazinyl-5-pyrimidylhydroxamic acids as potent histone deacetylase inhibitors

  摘要：

  Pursuing our efforts in designing 5-pyrimidylhydroxamic acid anti-cancer agents, we have identified a new series of potent histone deacetylase (HDAC) inhibitors. These compounds exhibit enzymatic HDAC inhibiting properties with IC50 values in the nanomolar range and inhibit tumor cell proliferation at similar levels. Good solubility, moderate bioavailability, and promising in vivo activity in xenograft model made this series of compounds interesting starting points to design new potent HDAC inhibitors. (c) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.10.118

文献信息

• WO2006/136553
  申请人：——

  公开号：——

  公开（公告）日：——
• Heterocyclylalkyl Derivatives as Novel Inhibitors of Histone Deacetylase
  申请人：Roux Bruno

  公开号：US20090023726A1

  公开（公告）日：2009-01-22

  This invention comprises the novel compounds of formula (I) wherein R 1 , T, X, Y, A, n, m and p have defined meanings, having histone deacetylase inhibiting enzymatic activity; their preparation, compositions containing them and their use as a medicine.
• Substituted aminopropenyl piperidine or morpholine derivatives as novel inhibitors of histone deacetylase
  申请人：Angibaud Patrick Rene

  公开号：US20090221580A1

  公开（公告）日：2009-09-03

  This invention comprises the novel compounds of formula (I) wherein R 1 , R 2 , R 3 , R 4 , X and Y have defined meanings, having histone deacetylase inhibiting enzymatic activity; their preparation, compositions containing them and their use as a medicine.
• IMIDAZOLINONE AND HYDANTOINE DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE
  申请人：Ten Holte Peter

  公开号：US20100160321A1

  公开（公告）日：2010-06-24

  This invention comprises the novel compounds of Formula (I) wherein R 1 , R 2 , R 3 , X, Y and Z have defined meanings, having histone deacetylase inhibiting enzymatic activity; their preparation, compositions containing them and their use as a medicine.
• SUBSTITUTED AMINOPROPENYL PIPERIDINE OR MORPHOLINE DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE
  申请人：Angibaud Patrick René

  公开号：US20120157456A1

  公开（公告）日：2012-06-21

  This invention comprises the novel compounds of formula (I) wherein R 1 , R 2 , R 3 , R 4 , X and Y have defined meanings, having histone deacetylase inhibiting enzymatic activity; their preparation, compositions containing them and their use as a medicine.