4-Hydroxy-4-isopropyl-5-methyl-hexan-2-one | 107036-00-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-Hydroxy-4-isopropyl-5-methyl-hexan-2-one
• 英文别名: 4-Hydroxy-5-methyl-4-propan-2-ylhexan-2-one
• CAS: 107036-00-0
• 化学式: C₁₀H₂₀O₂
• 分子量: 172.268
• InChiKey: GDFIXGIHSDCOQK-UHFFFAOYSA-N

物化性质

• 沸点：
  245.7±13.0 °C(Predicted)
• 密度：
  0.911±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.9
• 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：

  4-Hydroxy-4-isopropyl-5-methyl-hexan-2-one 、 草酸 生成 4-异丙基-5-甲基-己-3-烯-2-酮
  参考文献：
  名称：

  BUNNELLE W. H.; RAFFERTY M. A.; HODGES S. L., J. ORG. CHEM., 52,(1987) N 8, 1603-1605

  摘要：

  DOI：
• 作为产物：
  描述：

  2,4-二甲基-3-戊酮 在 二甲基硫 、 臭氧 作用下， 以 四氢呋喃 为溶剂， 反应 8.67h， 生成 4-Hydroxy-4-isopropyl-5-methyl-hexan-2-one
  参考文献：
  名称：

  Aldol-equivalent elaboration of sterically hindered ketiones: methallylmagnesium chloride as a synthon for acetone enolate

  摘要：

  DOI：

  10.1021/jo00384a041

文献信息

• Sesquiterpene derivatives and their use in inflammation or cancer treatment
  申请人：Academia Sinica

  公开号：US10238631B2

  公开（公告）日：2019-03-26

  A new class of sesquiterpene derivative useful for treating cancerous and inflammatory diseases are disclosed. These deoxyelephantopin derivatives are effective in suppressing proliferation, migration, mobility, invasion, growth, and/or metastasis of cancer cells in a patient, or useful for enhancing an anti-proliferative effect of another anti-cancer drug on cancer cells when treating a patient, or for sensitizing and/or enhancing an anti-cancer effect of a gluthathione synthesis blocker on inhibition of triple negative breast cancer cell activity, or for treatment and/or prophylaxis of lipopolysaccharide-stimulated inflammatory response in a patient, or for all of the above. Also disclosed are methods of preparing the deoxyelephantopin derivatives.

  本研究公开了一类可用于治疗癌症和炎症性疾病的新型倍半萜衍生物。这些脱氧苦艾素衍生物可有效抑制患者体内癌细胞的增殖、迁移、移动、侵袭、生长和/或转移，或在治疗患者时增强另一种抗癌药物对癌细胞的抗增殖作用、或用于增敏和/或增强谷胱甘肽合成阻滞剂对抑制三阴性乳腺癌细胞活性的抗癌作用，或用于治疗和/或预防患者体内脂多糖刺激的炎症反应，或用于上述所有用途。还公开了制备脱氧苦参碱衍生物的方法。
• NOVEL SESQUITERPENE DERIVATIVES AND THEIR USE IN INFLAMMATION OR CANCER TREATMENT
  申请人：Academia Sinica

  公开号：US20170182001A1

  公开（公告）日：2017-06-29

  A new class of sesquiterpene derivative useful for treating cancerous and inflammatory diseases are disclosed. These deoxyelephantopin derivatives are effective in suppressing proliferation, migration, mobility, invasion, growth, and/or metastasis of cancer cells in a patient, or useful for enhancing an anti-proliferative effect of another anti-cancer drug on cancer cells when treating a patient, or for sensitizing and/or enhancing an anti-cancer effect of a gluthathione synthesis blocker on inhibition of triple negative breast cancer cell activity, or for treatment and/or prophylaxis of lipopolysaccharide-stimulated inflammatory response in a patient, or for all of the above. Also disclosed are methods of preparing the deoxyelephantopin derivatives.