S-[2-[4-[(4-methylphenyl)sulfonylamino]phenyl]-2-oxoethyl] ethanethioate | 871832-28-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: S-[2-[4-[(4-methylphenyl)sulfonylamino]phenyl]-2-oxoethyl] ethanethioate
• CAS: 871832-28-9
• 化学式: C₁₇H₁₇NO₄S₂
• 分子量: 363.458
• InChiKey: JLCSWZSZKHXXJU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  24
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  114
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  N-[4-(2-溴乙酰基)苯基]-4-甲基苯磺酰胺 、 potassium thioacetate 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 生成 S-[2-[4-[(4-methylphenyl)sulfonylamino]phenyl]-2-oxoethyl] ethanethioate
  参考文献：
  名称：

  α-Mercaptoketone based histone deacetylase inhibitors

  摘要：

  In an effort to discover novel non-hydroxamic acid histone deacetylase (HDAC) inhibitors, a novel alpha-mercaptoketone was identified in a high-throughput screen. Lead optimization of the screening hit, led to a number of potent HDAC inhibitors. In particular, alpha-mercaptoketone 19y (KD5150) exhibited nanomolar in vitro activity and inhibition of tumor growth in vivo. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.10.058

文献信息

• Novel sulfonamides as inhibitors of histone deacetylase for the treatment of disease
  申请人：Malecha William James

  公开号：US20060030554A1

  公开（公告）日：2006-02-09

  Disclosed herein are carbonyl compounds of having the structural formula: or a pharmaceutically acceptable salt, amide, ester, or prodrug thereof, Methods and compositions are disclosed for treating disease states including, but not limited to cancers, autoimmune diseases, tissue damage, central nervous system disorders, neurodegenerative disorders, fibrosis, bone disorders, polyglutamine-repeat disorders, anemias, thalassemias, inflammatory conditions, cardiovascular conditions, and disorders in which angiogenesis play a role in pathogenesis, using the compounds of the invention. In addition, methods of modulating the activity of histone deacetylase (HDAC) are also disclosed.

  本文披露了具有结构式的羰基化合物： 或其药学上可接受的盐，酰胺，酯或前药。揭示了使用该发明的化合物治疗疾病状态的方法和组合物，包括但不限于癌症，自身免疫疾病，组织损伤，中枢神经系统疾病，神经退行性疾病，纤维化，骨疾病，多谷氨酸重复疾病，贫血，地中海贫血，炎症性疾病，心血管疾病以及血管生成在病理发生中起作用的疾病。此外，还揭示了调节组蛋白去乙酰化酶（HDAC）活性的方法。
• US7381749B2
  申请人：——

  公开号：US7381749B2

  公开（公告）日：2008-06-03
• [EN] NOVEL SULFONAMIDES AS INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE<br/>[FR] NOUVEAUX INHIBITEURS SULFONAMIDES DE HISTONE DECACETYLASE POUR LE TRAITEMENT DE MALADIES
  申请人：KALYPSYS INC

  公开号：WO2005120515A2

  公开（公告）日：2005-12-22

  Disclosed herein are carbonyl compounds of having the structural formula (I) or a pharmaceutically acceptable salt, amide, ester, or prodrug thereof, Methods and compositions are disclosed for treating disease states including, but not limited to cancers, autoimmune diseases, tissue damage, central nervous system disorders, neurodegenerative disorders, fibrosis, bone disorders, polyglutamine-repeat disorders, anemias, thalassemias, inflammatory conditions, cardiovascular conditions, and disorders in which angiogenesis play a role in pathogenesis, using the compounds of the invention. In addition, methods of modulating the activity of histone deacetylase (HDAC) are also disclosed.
• α-Mercaptoketone based histone deacetylase inhibitors
  作者：Paul L. Wash、Timothy Z. Hoffman、Brandon M. Wiley、Céline Bonnefous、Nicholas D. Smith、Michael S. Sertic、Charles M. Lawrence、Kent T. Symons、Phan-Manh Nguyen、Kevin D. Lustig、Xin Guo、Tami Annable、Stewart A. Noble、Jeffrey H. Hager、Christian A. Hassig、James W. Malecha

  DOI：10.1016/j.bmcl.2008.10.058

  日期：2008.12

  In an effort to discover novel non-hydroxamic acid histone deacetylase (HDAC) inhibitors, a novel alpha-mercaptoketone was identified in a high-throughput screen. Lead optimization of the screening hit, led to a number of potent HDAC inhibitors. In particular, alpha-mercaptoketone 19y (KD5150) exhibited nanomolar in vitro activity and inhibition of tumor growth in vivo. (C) 2008 Elsevier Ltd. All rights reserved.