pentyl 3-bromo-2-oxopropionate | 876344-67-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 酮酸及其衍生物
• 英文名称: pentyl 3-bromo-2-oxopropionate
• 英文别名: Pentyl 3-bromo-2-oxopropanoate
• CAS: 876344-67-1
• 化学式: C₈H₁₃BrO₃
• 分子量: 237.093
• InChiKey: VZORSSXNXGXUEH-UHFFFAOYSA-N

物化性质

• 沸点：
  257.4±23.0 °C(Predicted)
• 密度：
  1.359±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  12
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  戊醇 、 3-溴丙酮酸 在 盐酸 作用下， 以 水 为溶剂， 反应 9.0h， 生成 pentyl 3-bromo-2-oxopropionate
  参考文献：
  名称：

  [EN] 3-HALO-2-OXOPROPIONATE SALTS AND ESTERS AS NOVEL ANTICANCER AGENTS
  [FR] 3-BROMO-2-OXOPROPIONATE DE PROPYLE ET SES DERIVES UTILISES COMME NOUVEAUX AGENTS ANTICANCEREUX

  摘要：

  公开号：

  WO2006020403A3

文献信息

• Propyl 3-bromo-2-oxopropionate and derivatives as novel anticancer agents
  申请人：Huang Peng

  公开号：US20060058383A1

  公开（公告）日：2006-03-16

  The present invention is directed to compositions that inhibit glycolysis, perferentially in cancer. Specifically, the anticancer compositions comprise 3-halo-2-oxopropionate and its derivatives, such as ester derivatives. However, in specific embodiments, the anticancer composition is sodium 3-halo-2-oxopropionate, such as sodium 3-bromo-2-oxopropionate and a stabilizing agent, such as carbonic acid. In particular embodiments, the compositions of the present invention further comprise a metabolic intermediate for normal cells to utilize in a pathway for an alternate energy source, thereby providing protection to normal cells. In other embodiments, the 3-halo-2-oxopropionate or its ester derivative is used in combination with an additional cancer therapy, such as radiation and/or a drug.

  本发明涉及抑制糖酵解的组合物，特别是在癌症中。具体来说，抗癌组合物包括 3-卤-2-氧代丙酸酯及其衍生物，如酯衍生物。然而，在具体的实施方案中，抗癌组合物是 3-卤-2-氧代丙酸钠，如 3-溴-2-氧代丙酸钠和稳定剂，如碳酸。在特定的实施方案中，本发明的组合物进一步包含一种代谢中间体，供正常细胞在替代能源的途径中利用，从而为正常细胞提供保护。在其他实施方案中，3-卤代-2-氧代丙酸酯或其酯衍生物与其他癌症疗法，如放射和/或药物结合使用。
• 3-HALO-2-OXOPROPIONATE SALTS AND ESTERS AS NOVEL ANTICANCER AGENTS
  申请人：Board of Regents, The University of Texas System

  公开号：EP1786411A2

  公开（公告）日：2007-05-23
• [EN] PROPYL 3-BROMO-2-OXOPROPIONATE AND DERIVATIVES AS NOVEL ANTICANCER AGENTS<br/>[FR] 3-BROMO-2-OXOPROPIONATE DE PROPYLE ET SES DERIVES UTILISES COMME NOUVEAUX AGENTS ANTICANCEREUX
  申请人：UNIV TEXAS

  公开号：WO2006020403A2

  公开（公告）日：2006-02-23

  The present invention is directed to compositions that inhibit glycolysis, preferentially in cancer. Specifically, the anticancer compositions comprise 3-halo-2-oxopropionate and its derivatives, such as ester derivatives. However, in specific embodiments, the anticancer composition is sodium 3-halo-2-oxopropionate, such as sodium 3-bromo-2-­oxopropionate and a stabilizing agent, such as carbonic acid. In particular embodiments, the compositions of the present invention further comprise a metabolic intermediate for normal cells to utilize in a pathway for an alternate energy source, thereby providing protection to normal cells. In other embodiments, the 3-halo-2-oxopropionate or its ester derivative is used in combination with an additional cancer therapy, such as radiation and/or a drug.
• [EN] 3-HALO-2-OXOPROPIONATE SALTS AND ESTERS AS NOVEL ANTICANCER AGENTS<br/>[FR] 3-BROMO-2-OXOPROPIONATE DE PROPYLE ET SES DERIVES UTILISES COMME NOUVEAUX AGENTS ANTICANCEREUX
  申请人：UNIV TEXAS

  公开号：WO2006020403A3

  公开（公告）日：2006-06-01