3-hydroxy-N-(4-methoxybenzyl)-2-phenyl-4,5-dihydropyrazolo[3,4-d]pyrido[2,3-b]azepine-6(2H)-carboxamide | 1246619-72-6

• 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-hydroxy-N-(4-methoxybenzyl)-2-phenyl-4,5-dihydropyrazolo[3,4-d]pyrido[2,3-b]azepine-6(2H)-carboxamide
• CAS: 1246619-72-6
• 化学式: C₂₅H₂₃N₅O₃
• 分子量: 441.489
• InChiKey: COODHGRCTDXZCP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.92
• 重原子数：
  33.0
• 可旋转键数：
  4.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  92.51
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  、 苯肼 在 溶剂黄146 作用下， 反应 48.0h， 生成 3-hydroxy-N-(4-methoxybenzyl)-2-phenyl-4,5-dihydropyrazolo[3,4-d]pyrido[2,3-b]azepine-6(2H)-carboxamide
  参考文献：
  名称：

  SUBSTITUTED TETRAHYDROPYRAZOLO-PYRIDO-AZEPINE COMPOUNDS

  摘要：

  本发明涉及取代的四氢吡唑-吡啶-氮杂环庚烷化合物及其合成方法。本发明还涉及含有取代的四氢吡唑-吡啶-氮杂环庚烷化合物的药物组合物，以及通过将这些化合物和药物组合物用于需要治疗细胞增殖性疾病，如癌症的受试者，来治疗这些疾病的方法。

  公开号：

  US20100249109A1

文献信息

• Substituted Tetrahydropyrazolo-Pyrido-Azepine Compounds
  申请人：Lapierre Jean-Marc

  公开号：US20120015935A1

  公开（公告）日：2012-01-19

  The present invention relates to substituted tetrahydropyrazolo-pyrido-azepine compounds and methods of synthesizing these compounds. The present invention also relates to pharmaceutical compositions containing substituted tetrahydropyrazolo-pyrido-azepine compounds and methods of treating cell proliferative disorders, such as cancer, by administering these compounds and pharmaceutical compositions to subjects in need thereof.
• US8049005B2
  申请人：——

  公开号：US8049005B2

  公开（公告）日：2011-11-01
• US8293892B2
  申请人：——

  公开号：US8293892B2

  公开（公告）日：2012-10-23
• [EN] SUBSTITUTED TETRAHYDROPYRAZOLO-PYRIDO-AZEPIN COMPOUNDS<br/>[FR] COMPOSÉS TÉTRAHYDROPYRAZOLO-PYRIDO-AZÉPINE SUBSTITUÉS
  申请人：ARQULE INC

  公开号：WO2010114902A1

  公开（公告）日：2010-10-07

  The present invention relates to substituted tetrahydropyrazolo-pyrido-azepine compounds of formula (I) and methods of synthesizing these compounds. The present invention also relates to pharmaceutical compositions containing substituted tetrahydropyrazolo-pyrido-azepine compounds and methods of treating cell proliferative disorders, such as cancer, by administering these compounds and pharmaceutical compositions to subjects in need thereof, or a pharmaceutically acceptable salt or ester thereof, wherein: X1, X2; and X3, together with the two carbon atoms numbered "1" and "2", form a ring selected from (a), (b) and (c).