Quinoline-8-carboxylic acid [5-(2-mercapto-acetylamino)-pentyl]-amide | 828920-11-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: Quinoline-8-carboxylic acid [5-(2-mercapto-acetylamino)-pentyl]-amide
• 英文别名: N-[5-(2-Sulfanylacetamido)pentyl]quinoline-8-carboxamide；N-[5-[(2-sulfanylacetyl)amino]pentyl]quinoline-8-carboxamide
• CAS: 828920-11-2
• 化学式: C₁₇H₂₁N₃O₂S
• 分子量: 331.439
• InChiKey: MCZTZVMBLBXXFB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  23
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  72.1
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  8-喹啉甲酸 在 三乙基硅烷 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三氟乙酸 作用下， 生成 Quinoline-8-carboxylic acid [5-(2-mercapto-acetylamino)-pentyl]-amide
  参考文献：
  名称：

  Chemistry and biology of mercaptoacetamides as novel histone deacetylase inhibitors

  摘要：

  A series of mercaptoacetamides were designed and synthesized as novel histone deacetylase inhibitors with the aid of modeling. Their ability to inhibit HDAC activity and their effects on cancer cell growth were investigated. Some compounds exhibit better HDAC inhibitory activity than SAHA. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.01.006

文献信息

• US7507828B2
  申请人：——

  公开号：US7507828B2

  公开（公告）日：2009-03-24
• US8067600B2
  申请人：——

  公开号：US8067600B2

  公开（公告）日：2011-11-29
• [EN] HISTONE DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF<br/>[FR] INHIBITEURS D'HISTONE DESACETYLASE ET LEURS PROCEDES D'UTILISATION
  申请人：UNIV GEORGETOWN

  公开号：WO2005007091A2

  公开（公告）日：2005-01-27

  One aspect of the invention relates to HDAC inhibitors. Methods of sensitizing a cancer cell to the cytotoxic effects of radiotherapy are also provided. The invention also provides methods for treating cancer and methods for treating neurological diseases. Additionally, the invention further provides pharmaceutical compositions comprising an HDAC inhibitor of the invention, and kits comprising a container containing an HDAC inhibitor of the invention.
• Chemistry and biology of mercaptoacetamides as novel histone deacetylase inhibitors
  作者：Bin Chen、Pavel A. Petukhov、Mira Jung、Alfredo Velena、Elena Eliseeva、Anatoly Dritschilo、Alan P. Kozikowski

  DOI：10.1016/j.bmcl.2005.01.006

  日期：2005.3

  A series of mercaptoacetamides were designed and synthesized as novel histone deacetylase inhibitors with the aid of modeling. Their ability to inhibit HDAC activity and their effects on cancer cell growth were investigated. Some compounds exhibit better HDAC inhibitory activity than SAHA. (c) 2005 Elsevier Ltd. All rights reserved.