4-[2-amino-1-(anilinocarbonyl)-2-oxoethyl]benzoic acid | 918628-93-0

• 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: 4-[2-amino-1-(anilinocarbonyl)-2-oxoethyl]benzoic acid
• 英文别名: 4-(1-Amino-3-anilino-1,3-dioxopropan-2-yl)benzoic acid
• CAS: 918628-93-0
• 化学式: C₁₆H₁₄N₂O₄
• 分子量: 298.298
• InChiKey: CPXLRAXVHWXTNT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  110
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-[2-anilino-1-(anilinocarbonyl)-2-oxoethyl]benzoic acid 在 氨 作用下， 以 甲醇 为溶剂， 反应 1.0h， 生成 4-[2-amino-1-(anilinocarbonyl)-2-oxoethyl]benzoic acid
  参考文献：
  名称：

  WO2007/2248

  摘要：

  公开号：

文献信息

• Modified malonate derivatives
  申请人：Merck Sharp & Dohme Corp.

  公开号：US08158825B2

  公开（公告）日：2012-04-17

  The present invention relates to a novel class of modified malonate derivatives. The modified malonate compounds can be used to treat cancer. The modified malonate 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 modified malonate derivatives and safe dosing regimens of these pharmaceutical compositions, which are easy to follow, and which result in a therapeutically effective amount of the modified malonate derivatives in vivo.

  本发明涉及一类新型的改性丙二酸酯衍生物。这些改性丙二酸酯化合物可用于治疗癌症。这些改性丙二酸酯化合物也可以抑制组蛋白去乙酰化酶，并适用于选择性诱导细胞末端分化、阻止肿瘤细胞生长和/或细胞凋亡，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，以及中枢神经系统（CNS）疾病的预防和/或治疗，例如神经退行性疾病。本发明还提供了包含改性丙二酸酯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，并在体内产生治疗有效量的改性丙二酸酯衍生物。
• Modified Malonate Derivatives
  申请人：Grimm Jonathan

  公开号：US20100160327A1

  公开（公告）日：2010-06-24

  The present invention relates to a novel class of modified malonate derivatives. The modified malonate compounds can be used to treat cancer. The modified malonate 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 modified malonate derivatives and safe dosing regimens of these pharmaceutical compositions, which are easy to follow, and which result in a therapeutically effective amount of the modified malonate derivatives in vivo.

  本发明涉及一种新的改性丙二酸酯衍生物类，这些改性丙二酸酯化合物可用于治疗癌症。这些改性丙二酸酯化合物还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，本发明的化合物在治疗具有肿瘤细胞增殖特征的患者方面非常有用。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，并用于预防和/或治疗中枢神经系统（CNS）疾病，例如神经退行性疾病。本发明还提供了包括改性丙二酸酯衍生物的药物组合物和这些药物组合物的安全用药方案，这些方案易于遵循，并在体内产生治疗有效量的改性丙二酸酯衍生物。
• MODIFIED MALONATE DERIVATIVES
  申请人：Merck & Co., Inc.

  公开号：EP1896395A2

  公开（公告）日：2008-03-12
• US8158825B2
  申请人：——

  公开号：US8158825B2

  公开（公告）日：2012-04-17
• [EN] MODIFIED MALONATE DERIVATIVES<br/>[FR] DÉRIVÉS MODIFIÉS DU MALONATE
  申请人：MERCK & CO INC

  公开号：WO2007002248A2

  公开（公告）日：2007-01-04

  [EN] The present invention relates to a novel class of modified malonate derivatives. The modified malonate compounds can be used to treat cancer. The modified malonate 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 modified malonate derivatives and safe dosing regimens of these pharmaceutical compositions, which are easy to follow, and which result in a therapeutically effective amount of the modified malonate derivatives in vivo.
  [FR] La présente invention concerne une classe innovante de dérivés modifiés du malonate. Les composés modifiés du malonate peuvent être utilisés pour traiter le cancer. Les composés modifiés du malonate peuvent également inhiber l'histone désacétylase et ils peuvent être utilisés pour induire sélectivement la différentiation terminale et pour arrêter la croissance cellulaire et/ou l'apoptose des cellules néoplasiques, en inhibant ainsi la prolifération de telles cellules. En conséquence, les composés de la présente invention sont utiles pour traiter un patient ayant une tumeur caractérisée par la prolifération de cellules néoplasiques. Les composés de l'invention peuvent également être utiles dans la prévention et le traitement de maladies à médiation par TRX, telles que des maladies auto-immunes, allergiques et inflammatoires, et dans la prévention et/ou le traitement de maladies du système nerveux central (SNC), telles que des maladies neurodégénératives. La présente invention concerne en outre des compositions pharmaceutiques comprenant les dérivés modifiés du malonate et des régimes posologiques sans danger de ces compositions pharmaceutiques, ces régimes posologiques étant faciles à suivre et fournissant une quantité thérapeutiquement efficace in vivo des dérivés modifiés du malonate.