Avocettin | 57710-57-3

• 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: Avocettin
• 英文别名: (5aS,9S,9aS)-1-oxo-6-propan-2-ylspiro[3,5a,6,7,8,9a-hexahydro-2-benzoxepine-9,2'-oxirane]-4-carboxylic acid
• CAS: 57710-57-3；9036-70-8
• 化学式: C₁₅H₂₀O₅
• 分子量: 280.32
• InChiKey: JESMSCGUTIEROV-NOFREYILSA-N

物化性质

• 沸点：
  501.1±50.0 °C(Predicted)
• 密度：
  1.27±0.1 g/cm3(Predicted)
• 溶解度：
  DMF：30mg/mL； DMSO：30mg/mL；乙醇：30mg/mL
• LogP：
  2.034 (est)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  76.1
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• METHODS OF TREATING TUMORS HAVING ELEVATED MCT1 EXPRESSION
  申请人：Whitehead Institute for Biomedical Research

  公开号：US20140142180A1

  公开（公告）日：2014-05-22

  In some aspects, compositions and methods useful for classifying tumor cells, tumor cell lines, or tumors according to predicted sensitivity to 3-bromopyruvate (3-BrPA) are provided. In some aspects, methods of identifying subjects with cancer who are candidates for treatment with 3-BrPA are provided. In some aspects, compositions useful for subjects with cancers that express increased levels of MCT1 are provided. In some aspects, methods of treating subjects with cancers that express increased levels of MCT1 are provided. In some aspects, methods of identifying anti-tumor agents the efficacy of which is at least in part dependent on transporter-mediated uptake are provided.