7-(4-Phenyl-thiazol-2-yl)-heptanoic acid methyl ester | 641636-86-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 7-(4-Phenyl-thiazol-2-yl)-heptanoic acid methyl ester
• 英文别名: methyl 7-(4-phenyl-1,3-thiazol-2-yl)heptanoate
• CAS: 641636-86-4
• 化学式: C₁₇H₂₁NO₂S
• 分子量: 303.425
• InChiKey: ANXNEXPDUMBYPC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.48
• 重原子数：
  21.0
• 可旋转键数：
  8.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  39.19
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  7-(4-Phenyl-thiazol-2-yl)-heptanoic acid methyl ester 在 sodium hydroxide 、 三乙胺 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 生成
  参考文献：
  名称：

  A novel series of histone deacetylase inhibitors incorporating hetero aromatic ring systems as connection units

  摘要：

  A series of structurally novel HDAC inhibitors, in which a hetero aromatic ring connects the spacer with the hydrophobic group, has been designed and synthesized. These new inhibitors are very potent in in vitro enzymatic assays and display antiproliferation activity against two human cancer cell lines. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.07.012
• 作为产物：
  描述：

  suberamic acid methyl ester 在 劳森试剂 作用下， 以 甲醇 、 苯 为溶剂， 反应 1.5h， 生成 7-(4-Phenyl-thiazol-2-yl)-heptanoic acid methyl ester
  参考文献：
  名称：

  A novel series of histone deacetylase inhibitors incorporating hetero aromatic ring systems as connection units

  摘要：

  A series of structurally novel HDAC inhibitors, in which a hetero aromatic ring connects the spacer with the hydrophobic group, has been designed and synthesized. These new inhibitors are very potent in in vitro enzymatic assays and display antiproliferation activity against two human cancer cell lines. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.07.012