methyl 4-{1,1-difluoro-2-[2-(2-methoxybenzoyl)hydrazino]-2-oxoethyl}benzoic acid | 936755-53-2

• 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: methyl 4-{1,1-difluoro-2-[2-(2-methoxybenzoyl)hydrazino]-2-oxoethyl}benzoic acid
• 英文别名: methyl 4-{1,1-difluoro-2-[2-(2-methoxybenzoyl)hydrazino]-2-oxoethyl}benzoate；methyl 4-[1,1-difluoro-2-[2-(2-methoxybenzoyl)hydrazinyl]-2-oxoethyl]benzoate
• CAS: 936755-53-2
• 化学式: C₁₈H₁₆F₂N₂O₅
• 分子量: 378.332
• InChiKey: JUGLXSJJHANULB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  27
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  93.7
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  methyl 4-{1,1-difluoro-2-[2-(2-methoxybenzoyl)hydrazino]-2-oxoethyl}benzoic acid 在 sodium hydroxide 、 (benzotriazol-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate 、 Burgess reagent 、 水 、 N,N-二异丙基乙胺 、 三氟乙酸 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 48.17h， 生成 N-(4-amino-1-phenyl-1H-pyrazol-3-yl)-4-{difluoro[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl}benzamide
  参考文献：
  名称：

  WO2007/55941

  摘要：

  公开号：
• 作为产物：
  描述：

  methyl 4-(2-methoxy-2-oxoacetyl)benzoate 在 sodium hydroxide 、 水 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 [双(2-甲氧基乙基)胺]三氟化硫 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 48.0h， 生成 methyl 4-{1,1-difluoro-2-[2-(2-methoxybenzoyl)hydrazino]-2-oxoethyl}benzoic acid
  参考文献：
  名称：

  WO2007/55941

  摘要：

  公开号：

文献信息

• Fluorinated Arylamide Derivatives
  申请人：Miller Thomas A.

  公开号：US20090012075A1

  公开（公告）日：2009-01-08

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

  本发明涉及一种新型的氟化芳基酰胺衍生物。这些化合物可用于治疗癌症。氟化芳基酰胺衍生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、阻止肿瘤细胞的生长和/或凋亡，从而抑制这些细胞的增殖。因此，本发明的这些化合物在治疗具有肿瘤细胞增殖特征的患者中是有用的。本发明的这些化合物也可能在预防和治疗TRX介导的疾病中有用，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，如神经退行性疾病。本发明还提供了包含羟酰胺衍生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羟酰胺衍生物。
• 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。
• 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。
• [EN] FLUORINATED ARYLAMIDE DERIVATIVES<br/>[FR] DERIVES D'ARYLAMIDE FLUORE
  申请人：MERCK & CO INC

  公开号：WO2007087129A8

  公开（公告）日：2010-05-14
• HISTONE DEACETYLASE INHIBITORS WITH ARYL-PYRAZOLYL MOTIFS
  申请人：Merck Sharp & Dohme Corp.

  公开号：EP1945617B1

  公开（公告）日：2012-12-26