3-(3-carboxyphenyl)-1-[(1-{3,4-dimethylphenyl}-5-hydroxy-3-methyl-1H-pyrazol-4-ylmethylene)amino]-2-thioxothiazolidin-4-one | 340041-29-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-(3-carboxyphenyl)-1-[(1-{3,4-dimethylphenyl}-5-hydroxy-3-methyl-1H-pyrazol-4-ylmethylene)amino]-2-thioxothiazolidin-4-one
• 英文别名: 3-(3-carboxyphenyl)-1-[(1-(3,4-dimethylphenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-ylmethylene)amino]-2-thioxoimidazolidin-4-one
• CAS: 340041-29-4
• 化学式: C₂₃H₂₁N₅O₄S
• 分子量: 463.517
• InChiKey: HJIGMBSKDMISPT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.17
• 重原子数：
  33.0
• 可旋转键数：
  5.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  111.26
• 氢给体数：
  2.0
• 氢受体数：
  7.0

反应信息

• 作为产物：
  描述：

  1-(3,4-Dimethylphenyl)-5-hydroxy-3-methyl-1H-pyrazole-4-carbaldehyde 、 1-amino-3-(3-carboxyphenyl)-2-thioxoimidazolidin-4-one 在 乙醚 作用下， 以 乙醇甲醇混合物 为溶剂， 反应 96.0h， 以to give the title compound (42 mg, 46%) as a powder的产率得到3-(3-carboxyphenyl)-1-[(1-{3,4-dimethylphenyl}-5-hydroxy-3-methyl-1H-pyrazol-4-ylmethylene)amino]-2-thioxothiazolidin-4-one
  参考文献：
  名称：

  Semicarbazone derivatives and their use as thrombopoietin mimetics

  摘要：

  公式（I）的化合物，特别是公式（Ia）的化合物，是非肽类TPO模拟剂，可用于治疗血小板减少症。

  公开号：

  US06720345B1

文献信息

• [EN] PYRAZOLONE COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATOR<br/>[FR] COMPOSES DE PYRAZOLONE ET ACTIVATEUR DU RECEPTEUR DE LA THROMBOPOIETINE
  申请人：NISSAN CHEMICAL IND LTD

  公开号：WO2004033433A1

  公开（公告）日：2004-04-22

  A preventive, therapeutic or improving agent for diseases against which activation of the thrombopoietin receptor is effective or a platelet increasing agent, which contains a thrombopoietin receptor activator represented by the formula (1): wherein A is a C?2-14#191 aryl group, B is a hydrogen atom, a C?1-6#191 alkyl group, a C?1-3#191 alkyl group substituted with one or more fluorine atoms or a C?2-14#191 aryl group, D is a hydrogen atom, a C?1-6#191 alkyl group, a C?1-3#191 alkyl group substituted with one or more fluorine atoms or a C?2-14#191 aryl group, and E is a C?2-14#191 aryl group, a tautomer, prodrug or pharmaceutically acceptable salt of the activator or a solvate thereof, as an active ingredient.

  一种预防、治疗或改善针对血小板生成素受体激活有效的疾病的药剂或增加血小板的药剂，其中包含由式（1）表示的血小板生成素受体激活剂：其中A是C?2-14#191芳基，B是氢原子，C?1-6#191烷基，一个或多个氟原子取代的C?1-3#191烷基或C?2-14#191芳基，D是氢原子，C?1-6#191烷基，一个或多个氟原子取代的C?1-3#191烷基或C?2-14#191芳基，E是C?2-14#191芳基，激活剂的互变异构体、前药或药用可接受的盐或其溶剂，作为活性成分。
• Pyrazolone compounds and thrombopoietin receptor activator
  申请人：Miyaji Katsuaki

  公开号：US20060069140A1

  公开（公告）日：2006-03-30

  A preventive, therapeutic or improving agent for diseases against which activation of the thrombopoietin receptor is effective or a platelet increasing agent, which contains a thrombopoietin receptor activator represented by the formula (1): wherein A is a C?2-14#191 aryl group, B is a hydrogen atom, a C?1-6#191 alkyl group, a C?1-3#191 alkyl group substituted with one or more fluorine atoms or a C?2-14#191 aryl group, D is a hydrogen atom, a C?1-6#191 alkyl group, a C?1-3#191 alkyl group substituted with one or more fluorine atoms or a C?2-14#191 aryl group, and E is a C?2-14#191 aryl group, a tautomer, prodrug or pharmaceutically acceptable salt of the activator or a solvate thereof, as an active ingredient.

  一种预防、治疗或改善疾病的药物，其对激活血小板生成素受体有效，或者一种增加血小板数量的药物，其中包含由式（1）表示的血小板生成素受体激活剂：其中A是C?2-14#191芳基基团，B是氢原子、C?1-6#191烷基、C?1-3#191烷基，其上取代有一个或多个氟原子，或C?2-14#191芳基基团，D是氢原子、C?1-6#191烷基、C?1-3#191烷基，其上取代有一个或多个氟原子，或C?2-14#191芳基基团，E是C?2-14#191芳基基团、互变异构体、前药或其药学上可接受的盐或其溶剂化物，作为活性成分。