2-[methyl(2-phenylethyl)amino]-1,3-thiazole-5-carboxylic acid | 936755-41-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-[methyl(2-phenylethyl)amino]-1,3-thiazole-5-carboxylic acid
• CAS: 936755-41-8
• 化学式: C₁₃H₁₄N₂O₂S
• 分子量: 262.332
• InChiKey: AJDVWYNRIBDORV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  81.7
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  n-甲基苯基乙胺 在 lithium hydroxide 、 水 作用下， 以 四氢呋喃 、 1,3-二噁烷 为溶剂， 反应 3.0h， 生成 2-[methyl(2-phenylethyl)amino]-1,3-thiazole-5-carboxylic acid
  参考文献：
  名称：

  WO2007/55941

  摘要：

  公开号：

文献信息

• 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。
• 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
• US8026260B2
  申请人：——

  公开号：US8026260B2

  公开（公告）日：2011-09-27
• [EN] HISTONE DEACETYLASE INHIBITORS WITH ARYL-PYRAZOLYL MOTIFS<br/>[FR] INHIBITEURS DE L'HISTONE DESACETYLASE A MOTIFS D'ARYLE-PYRAZOLYLE
  申请人：MERCK & CO INC

  公开号：WO2007055941A2

  公开（公告）日：2007-05-18

  [EN] 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.
  [FR] La présente invention concerne une nouvelle classe d'inhibiteurs de l'histone désacétylase qui présentent des motifs aryle-pyrazolyle. Les composés selon la présente invention peuvent être utilisés pour traiter le cancer. Les composés selon la présente invention conviennent pour être utilisés pour induire sélectivement une différenciation terminale et bloquer la croissance et/ou l'apoptose de cellules néoplasiques pour ainsi inhiber la prolifération de ces cellules. Ainsi, les composés selon la présente invention peuvent être utilisés dans le traitement d'un patient qui présente une tumeur caractérisée par la prolifération de cellules néoplasiques. La présente invention concerne en outre les compositions pharmaceutiques qui comprennent les composés selon la présente invention et des régimes sûrs de dosage de ces compositions pharmaceutiques, qui sont aisés à suivre et qui permettent d'administrer in vivo une quantité thérapeutiquement efficace des composés selon la présente invention.