tert-butyl 4-(2-methoxy-2-oxoethyl)benzoate | 934737-91-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: tert-butyl 4-(2-methoxy-2-oxoethyl)benzoate
• 英文别名: Tert-butyl 4-((methoxycarbonyl)methyl)benzoate
• CAS: 934737-91-4
• 化学式: C₁₄H₁₈O₄
• 分子量: 250.295
• InChiKey: GTWITZHEXAZDGG-UHFFFAOYSA-N

物化性质

• 沸点：
  333.3±25.0 °C(Predicted)
• 密度：
  1.089±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  18
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  tert-butyl 4-(2-methoxy-2-oxoethyl)benzoate 在 水 、 lithium hydroxide 、 盐酸 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 1.0h， 以87%的产率得到2-(4-(tert-butoxycarbonyl)phenyl)acetic acid
  参考文献：
  名称：

  Dicarboxylic Acid Derivatives and their Use

  摘要：

  本申请涉及新颖的二羧酸衍生物，其制备方法，它们用于治疗和/或预防疾病的用途，以及它们用于生产治疗和/或预防疾病的药物的用途，特别是用于治疗和/或预防心血管疾病的用途。

  公开号：

  US20100029772A1
• 作为产物：
  描述：

  4-(2-甲氧基-2-氧乙基)苯甲酸 、 异丁烯 在 硫酸 作用下， 以 二氯甲烷 为溶剂， 反应 6.0h， 生成 tert-butyl 4-(2-methoxy-2-oxoethyl)benzoate
  参考文献：
  名称：

  WO2007/55941

  摘要：

  公开号：

文献信息

• Inhibitors of Histone Deacetylase
  申请人：Grimm Jonathan B.

  公开号：US20090069250A1

  公开（公告）日：2009-03-12

  The present invention relates to a novel class of compounds. These compounds can 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 compounds of the instant invention and sale dosing regimens of these pharmaceutical compositions, which are easy to follow, and which result in a therapeutically effective amount of these compounds in vivo.

  本发明涉及一类新型化合物。这些化合物可以抑制组蛋白去乙酰化酶，并适用于在选择性诱导终末分化、阻止肿瘤细胞生长和/或凋亡的过程中使用，从而抑制这些细胞的增殖。因此，本发明的化合物在治疗具有肿瘤特征的患者方面是有用的，这些肿瘤由肿瘤细胞增殖引起。本发明的化合物还可能在预防和治疗TRX介导的疾病方面有用，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，如神经退行性疾病。本发明还提供包含本发明化合物的药物组合物，以及这些药物组合物的销售用剂量方案，易于遵循，并在体内产生这些化合物的治疗有效量。
• Histone Deacetylase Inhibitors With Aryl-Pyrazolyl-Motifs
  申请人：Close Joshua

  公开号：US20090291965A1

  公开（公告）日：2009-11-26

  The present invention relates to a novel class of histone deacetylase inhibitors with aryl-pyrazolyl motifs. The compounds of this invention can be used to treat cancer. The compounds of this invention 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 present invention further provides pharmaceutical compositions comprising the compounds of this invention and safe dosing regimens of these pharmaceutical compositions, which are easy to follow, and which result in a therapeutically effective amount of the compounds of this invention in vivo.

  本发明涉及一种新型带有芳基吡唑基团的组蛋白去乙酰化酶抑制剂。本发明的化合物可用于治疗癌症。本发明的化合物适用于选择性诱导末端分化，并阻止肿瘤细胞的细胞生长和/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。本发明还提供了包括本发明化合物的制药组合物和这些制药组合物的安全给药方案，这些方案易于遵循，并在体内产生治疗有效量的本发明化合物。
• Inhibitors of histone deacetylase
  申请人：Merck Sharp & Dohme Corp.

  公开号：US08168658B2

  公开（公告）日：2012-05-01

  The present invention relates to a novel class of compounds. These compounds can 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 compounds of the instant invention and safe dosing regimens of these pharmaceutical compositions, which are easy to follow, and which result in a therapeutically effective amount of these compounds in vivo.

  本发明涉及一种新型化合物。这些化合物可以抑制组蛋白去乙酰化酶，并适用于选择性诱导终末分化，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患有以肿瘤细胞增殖为特征的患者。本发明的化合物也可用于预防和治疗TRX介导的疾病，如自身免疫、过敏和炎症性疾病，并预防和/或治疗中枢神经系统（CNS）疾病，如神经退行性疾病。本发明还提供了包含本发明化合物的制药组合物和这些制药组合物的安全剂量方案，易于遵循，并在体内产生治疗有效量的这些化合物。
• Histone deacetylase inhibitors with aryl-pyrazolyl-motifs
  申请人：Merck Sharp & Dohme Corp.

  公开号：US08026260B2

  公开（公告）日：2011-09-27

  The present invention relates to a novel class of histone deacetylase inhibitors with aryl-pyrazolyl motifs. The compounds of this invention can be used to treat cancer. The compounds of this invention 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 present invention further provides pharmaceutical compositions comprising the compounds of this invention and safe dosing regimens of these pharmaceutical compositions, which are easy to follow, and which result in a therapeutically effective amount of the compounds of this invention in vivo.

  本发明涉及一种新型的带有芳基吡唑基团的组蛋白去乙酰化酶抑制剂类。本发明的化合物可用于治疗癌症。本发明的化合物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。本发明还提供了包含本发明化合物的药物组合物和这些药物组合物的安全用量方案，这些方案易于遵循，并在体内产生治疗有效量的本发明化合物。
• Dicarboxylic acid derivatives and their use
  申请人：Bartel Stephan

  公开号：US08609727B2

  公开（公告）日：2013-12-17

  The present application relates to novel dicarboxylic acid derivatives, process for their preparation, their use for the treatment and/or prophylaxis of diseases, and their use for producing medicaments for the treatment and/or prophylaxis of diseases, especially for the treatment and/or prevention of cardiovascular disorders.

  本申请涉及新型二羧酸衍生物，其制备方法，其用于治疗和/或预防疾病的用途，以及其用于生产治疗和/或预防疾病的药物的用途，特别是用于治疗和/或预防心血管疾病的用途。