4-Quinolinemethanol, 6,8-dichloro-alpha-(2-piperidyl)-2-(trifluoromethyl)-, methanesulfonate,hemihydrate | 76487-48-4

• 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: 4-Quinolinemethanol, 6,8-dichloro-alpha-(2-piperidyl)-2-(trifluoromethyl)-, methanesulfonate,hemihydrate
• 英文别名: (S)-[6,8-dichloro-2-(trifluoromethyl)quinolin-4-yl]-[(2S)-piperidin-2-yl]methanol;methanesulfonic acid
• CAS: 76487-48-4
• 化学式: C17H19Cl2F3N2O4S
• 分子量: 475.3
• InChiKey: BKVZXESTLGCNPZ-NXCSSKFKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.24
• 重原子数：
  29
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  108
• 氢给体数：
  3
• 氢受体数：
  9

文献信息

• [EN] COMPOSITIONS FOR THE TREATMENT OF CANCER AND USES THEREOF<br/>[FR] COMPOSITIONS DESTINÉES AU TRAITEMENT DU CANCER, ET LEURS UTILISATIONS
  申请人：UNIV FLORIDA

  公开号：WO2016209688A1

  公开（公告）日：2016-12-29

  The invention pertains to compositions comprising inhibitors of PI3K, AKT and/or mTOR, one or more 4-quinolinemethanols and a pharmaceutically acceptable excipient. These compositions can contain subtherapeutic amounts of each active ingredient (PI3K, AKT, mTOR, one or more 4-quinolinemethanols and various combinations thereof). The invention also provides a method of treating various forms of cancer, such as breast cancer, prostate cancer, multiple myeloma, hepatocyte carcinoma, brain cancer, lung cancer, non- small cell lung carcinoma, colorectal cancer, melanoma and/or pancreatic cancer.