tert-butyl 4-[2-hydroxy-1-(hydroxymethyI)ethyl]benzoate | 1003316-30-0

• 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: tert-butyl 4-[2-hydroxy-1-(hydroxymethyI)ethyl]benzoate
• 英文别名: Tert-butyl 4-[2-hydroxy-1-(hydroxymethyl)ethyl]benzoate；tert-butyl 4-(1,3-dihydroxypropan-2-yl)benzoate
• CAS: 1003316-30-0
• 化学式: C₁₄H₂₀O₄
• 分子量: 252.31
• InChiKey: XATFAHPOFHNQAV-UHFFFAOYSA-N

物化性质

• 沸点：
  402.2±30.0 °C(Predicted)
• 密度：
  1.136±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  18
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  66.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  甲基膦酞二氯 、 tert-butyl 4-[2-hydroxy-1-(hydroxymethyI)ethyl]benzoate 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 1.5h， 生成 tert-butyl 4-(2-methyl-2-oxido-1,3,2-dioxaphosphinan-5-yl)benzoate
  参考文献：
  名称：

  WO2008/10985

  摘要：

  公开号：
• 作为产物：
  描述：

  2-(4-tert-butoxycarbonyl-phenyl)-malonic acid dimethyl ester 在 sodium tetrahydroborate 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 2.0h， 生成 tert-butyl 4-[2-hydroxy-1-(hydroxymethyI)ethyl]benzoate
  参考文献：
  名称：

  WO2008/10985

  摘要：

  公开号：

文献信息

• PHOSPHORUS DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS
  申请人：Close Joshua

  公开号：US20090270351A1

  公开（公告）日：2009-10-29

  The present invention relates to a novel class of phosphorus derivatives. The phosphorus compounds can be used to treat cancer. The phosphorus compounds can also inhibit histone deacetylase and are suitable for use in selectively inducing terminal differentiation, and arresting cell growth and/or apoptosis of neoplastic cells, thereby inhibiting proliferation of such cells. Thus, the compounds of the present invention are useful in treating a patient having a tumor characterized by proliferation of neoplastic cells. The compounds of the invention may also be useful in the prevention and treatment of TRX-mediated diseases, such as autoimmune, allergic and inflammatory diseases, and in the prevention and/or treatment of diseases of the central nervous system (CNS), such as neurodegenerative diseases. The present invention further provides pharmaceutical compositions comprising the phosphorus derivatives and safe dosing regimens of these pharmaceutical compositions, which are easy to follow, and which result in a therapeutically effective amount of the phosphorus derivatives in vivo.

  本发明涉及一种新型的磷衍生物。这些磷化合物可以用于治疗癌症。这些磷化合物还可以抑制组蛋白去乙酰化酶，适用于选择性诱导终末分化，并阻止肿瘤细胞的生长和/或凋亡，从而抑制这些细胞的增殖。因此，本发明的化合物对于治疗具有肿瘤细胞增殖特征的患者非常有用。本发明的化合物还可以用于预防和治疗TRX介导的疾病，例如自身免疫、过敏和炎症性疾病，以及预防和/或治疗中枢神经系统（CNS）疾病，例如神经退行性疾病。本发明还提供了包含这些磷衍生物的药物组合物和这些药物组合物的安全剂量方案，这些方案易于遵循，并在体内产生治疗有效量的磷衍生物。
• Phosphorus derivatives as histone deacetylase inhibitors
  申请人：Merck Sharp & Dohme Corp.

  公开号：US07981874B2

  公开（公告）日：2011-07-19

  The present invention relates to a novel class of phosphorus derivatives. The phosphorus compounds can be used to treat cancer. The phosphorus compounds can also inhibit histone deacetylase and are suitable for use in selectively inducing terminal differentiation, and arresting cell growth and/or apoptosis of neoplastic cells, thereby inhibiting proliferation of such cells. Thus, the compounds of the present invention are useful in treating a patient having a tumor characterized by proliferation of neoplastic cells. The compounds of the invention may also be useful in the prevention and treatment of TRX-mediated diseases, such as autoimmune, allergic and inflammatory diseases, and in the prevention and/or treatment of diseases of the central nervous system (CNS), such as neurodegenerative diseases. The present invention further provides pharmaceutical compositions comprising the phosphorus derivatives and safe dosing regimens of these pharmaceutical compositions, which are easy to follow, and which result in a therapeutically effective amount of the phosphorus derivatives in vivo.

  本发明涉及一类新型的磷衍生物。这些磷化合物可用于治疗癌症。这些磷化合物还可以抑制组蛋白去乙酰化酶，适用于选择性诱导末端分化，阻止肿瘤细胞的生长和/或凋亡，从而抑制这些细胞的增殖。因此，本发明的化合物可用于治疗具有肿瘤细胞增殖特征的患者。本发明的化合物还可以用于预防和治疗TRX介导的疾病，如自身免疫性、过敏性和炎症性疾病，以及中枢神经系统（CNS）疾病的预防和/或治疗，如神经退行性疾病。本发明还提供了包含这些磷衍生物的药物组合物和这些药物组合物的安全剂量方案，易于遵循，并且在体内产生治疗有效量的磷衍生物。
• US7981874B2
  申请人：——

  公开号：US7981874B2

  公开（公告）日：2011-07-19
• WO2008/10985
  申请人：——

  公开号：——

  公开（公告）日：——