Methyl 3-[3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylphenyl]prop-2-enoate | 1364415-64-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: Methyl 3-[3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylphenyl]prop-2-enoate
• CAS: 1364415-64-4
• 化学式: C₂₀H₂₁ClN₂O₄S
• 分子量: 420.917
• InChiKey: OUOQASJQWCNORS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  28
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  75.3
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  Methyl 3-[3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylphenyl]prop-2-enoate 在 sodium hydroxide 作用下， 生成 3-[3-[4-(3-Chlorophenyl)piperazin-1-yl]sulfonylphenyl]prop-2-enoic acid
  参考文献：
  名称：

  Inhibitors of human histone deacetylase with potent activity against the African trypanosome Trypanosoma brucei

  摘要：

  A number of hydroxamic acid derivatives which inhibit human histone deacetylases were investigated for efficacy against cultured bloodstream form Trypanosoma brucei. Three out of the four classes tested displayed significant activity. The majority of compounds blocked parasite growth in the submicromolar range. The most potent was a member of the sulphonepiperazine series with an IC50 of 34 nM. These results identify lead compounds with potential for the development of a novel class of trypanocidal agent. (c) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.01.072
• 作为产物：
  描述：

  methyl 3-[3-(chlorosulfonyl)phenyl]acrylate 、 1-(3-氯苯基)哌嗪 生成 Methyl 3-[3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylphenyl]prop-2-enoate
  参考文献：
  名称：

  Inhibitors of human histone deacetylase with potent activity against the African trypanosome Trypanosoma brucei

  摘要：

  A number of hydroxamic acid derivatives which inhibit human histone deacetylases were investigated for efficacy against cultured bloodstream form Trypanosoma brucei. Three out of the four classes tested displayed significant activity. The majority of compounds blocked parasite growth in the submicromolar range. The most potent was a member of the sulphonepiperazine series with an IC50 of 34 nM. These results identify lead compounds with potential for the development of a novel class of trypanocidal agent. (c) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.01.072

文献信息

• CARBAMIC ACID COMPOUNDS COMPRISING A PIPERAZINE LINKAGE AS HDAC INHIBITORS
  申请人：Watkins Clare J.

  公开号：US20110275810A1

  公开（公告）日：2011-11-10

  This invention pertains to certain carbamic acid compounds which inhibit HDAC (histone deacetylase) activity of the following formula: The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, both in vitro and in vivo, to inhibit HDAC, and in the treatment of conditions mediated by HDAC, cancer, proliferative conditions, psoriasis, etc.

  本发明涉及以下公式的抑制HDAC（组蛋白去乙酰化酶）活性的某些碳酰胺化合物：本发明还涉及包含这样的化合物的制药组合物，以及在体外和体内使用这样的化合物和组合物来抑制HDAC，并用于治疗由HDAC介导的疾病，如癌症，增殖性疾病，牛皮癣等。
• US7981895B2
  申请人：——

  公开号：US7981895B2

  公开（公告）日：2011-07-19
• Inhibitors of human histone deacetylase with potent activity against the African trypanosome Trypanosoma brucei
  作者：John M. Kelly、Martin C. Taylor、David Horn、Einars Loza、Ivars Kalvinsh、Fredrik Björkling

  DOI：10.1016/j.bmcl.2012.01.072

  日期：2012.3

  A number of hydroxamic acid derivatives which inhibit human histone deacetylases were investigated for efficacy against cultured bloodstream form Trypanosoma brucei. Three out of the four classes tested displayed significant activity. The majority of compounds blocked parasite growth in the submicromolar range. The most potent was a member of the sulphonepiperazine series with an IC50 of 34 nM. These results identify lead compounds with potential for the development of a novel class of trypanocidal agent. (c) 2012 Elsevier Ltd. All rights reserved.