Dihydroaleprinsaeure | 100912-20-7

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: Dihydroaleprinsaeure
• 英文别名: 9-Cyclopentylnonanoic acid
• CAS: 100912-20-7
• 化学式: C₁₄H₂₆O₂
• 分子量: 226.359
• InChiKey: PQQVLWLTXIZVND-UHFFFAOYSA-N

物化性质

• 沸点：
  346.2±10.0 °C(Predicted)
• 密度：
  0.957±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  16
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  Dihydroaleprinsaeure 在 5%-palladium/activated carbon 、 氢气 、 1-羟基苯并三唑 、 乙酸乙酯 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 16.0h， 生成
  参考文献：
  名称：

  Identification of the KDM2/7 Histone Lysine Demethylase Subfamily Inhibitor and its Antiproliferative Activity

  摘要：

  Histone N-e-methyl lysine demethylases KDM2/7 have been identified as potential targets for cancer therapies. On the basis of the crystal structure of KDM7B, we designed and prepared a series of hydroxamate analogues bearing an alkyl chain. Enzyme assays revealed that compound 9 potently inhibits KDM2A, KDM7A, and KDM7B, with IC(50)s of 6.8, 0.2, and 1.2 mu M, respectively. While inhibitors of KDM4s did not show any effect on cancer cells tested, the KDM2/7-subfamily inhibitor 9 exerted antiproliferative activity, indicating the potential for KDM2/7 inhibitors as anticancer agents.

  DOI：

  10.1021/jm400624b
• 作为产物：
  描述：

  壬二酸 、 环戊乙酸 在 sodium 作用下， 以 甲醇 为溶剂， 生成 Dihydroaleprinsaeure
  参考文献：
  名称：

  Tanaka,A., Chemical and pharmaceutical bulletin, 1960, vol. 8, p. 1063 - 1066

  摘要：

  DOI：

文献信息

• US5759443A
  申请人：——

  公开号：US5759443A

  公开（公告）日：1998-06-02
• Identification of the KDM2/7 Histone Lysine Demethylase Subfamily Inhibitor and its Antiproliferative Activity
  作者：Takayoshi Suzuki、Hiroki Ozasa、Yukihiro Itoh、Peng Zhan、Hideyuki Sawada、Koshiki Mino、Louise Walport、Rei Ohkubo、Akane Kawamura、Masato Yonezawa、Yuichi Tsukada、Anthony Tumber、Hidehiko Nakagawa、Makoto Hasegawa、Ryuzo Sasaki、Tamio Mizukami、Christopher J. Schofield、Naoki Miyata

  DOI：10.1021/jm400624b

  日期：2013.9.26

  Histone N-e-methyl lysine demethylases KDM2/7 have been identified as potential targets for cancer therapies. On the basis of the crystal structure of KDM7B, we designed and prepared a series of hydroxamate analogues bearing an alkyl chain. Enzyme assays revealed that compound 9 potently inhibits KDM2A, KDM7A, and KDM7B, with IC(50)s of 6.8, 0.2, and 1.2 mu M, respectively. While inhibitors of KDM4s did not show any effect on cancer cells tested, the KDM2/7-subfamily inhibitor 9 exerted antiproliferative activity, indicating the potential for KDM2/7 inhibitors as anticancer agents.
• Tanaka,A., Chemical and pharmaceutical bulletin, 1960, vol. 8, p. 1063 - 1066
  作者：Tanaka,A.

  DOI：——

  日期：——