(4S)-4-tert-butylcyclohexene-1-carboxylic acid

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: (4S)-4-tert-butylcyclohexene-1-carboxylic acid
• 化学式: C₁₁H₁₈O₂
• 分子量: 182.26
• InChiKey: KMNKILKNBAQNMZ-SECBINFHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

文献信息

• COMPOUND, PROCESS FOR PREPARING A COMPOUND, PHARMACEUTICAL COMPOSITION, USE OF A COMPOUND AND METHOD FOR TREATING CANCER
  申请人：FUNDAÇÃO OSWALDO CRUZ

  公开号：US20170260121A1

  公开（公告）日：2017-09-14

  The present invention provides a compound of perillic acid in the form of a salt, having Formula II, exhibiting anti-cancer activity, where counterion M + comprises alkaline or alkaline earth metals, such as Na + (sodium), K + (potassium), Ca +2 /2 (calcium), etc. The invention further discloses a method of obtaining the compound, a pharmaceutical composition, use of the compound and a method of treating cancer.