4-(3-bromobenzyl)phthalazin-1(2H)-one | 420846-68-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 4-(3-bromobenzyl)phthalazin-1(2H)-one
• 英文别名: 4-(3-bromo-benzyl)-2H-phthalazin-1-one；4-[(3-bromophenyl)methyl]-2H-phthalazin-1-one
• CAS: 420846-68-0
• 化学式: C₁₅H₁₁BrN₂O
• 分子量: 315.169
• InChiKey: UJTBLCFQVYYZMY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  41.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-(苄氧基羰基)苯硼酸 、 4-(3-bromobenzyl)phthalazin-1(2H)-one 在 四(三苯基膦)钯 potassium carbonate 作用下， 以 1,4-二氧六环 为溶剂， 反应 18.16h， 生成 benzyl 4-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]benzoate
  参考文献：
  名称：

  WO2008/114023

  摘要：

  公开号：
• 作为产物：
  描述：

  2-(3-bromophenyl)indan-1,3-dione 在 肼 作用下， 以 水 为溶剂， 反应 18.0h， 生成 4-(3-bromobenzyl)phthalazin-1(2H)-one
  参考文献：
  名称：

  WO2008/114023

  摘要：

  公开号：

文献信息

• [EN] PHTHALAZINE DERIVATIVES AS INHIBITORS OF PARP1, PARP2 AND/OR TUBULIN USEFUL FOR THE TREATMENT OF CANCER<br/>[FR] DÉRIVÉS DE PHTALAZINE UTILES EN TANT QU'INHIBITEURS DE PARP1, PARP2 ET/OU DE TUBULINE DANS LE TRAITEMENT DU CANCER
  申请人：UNIV CALIFORNIA

  公开号：WO2017223516A1

  公开（公告）日：2017-12-28

  The application relates to phthalazine derivatives of formula (I) which are inhibitors of PARP1, PARP2 and/or tubulin and thus useful for the treatment of cancer. Also disclosed are pharmaceutical formulations containing such compounds, as well as combinations of these compounds with at least one additional therapeutic agent.

  该应用涉及公式（I）的邻苯二氮杂环衍生物，它们是PARP1、PARP2和/或微管的抑制剂，因此对于癌症的治疗是有用的。还披露了含有这些化合物的药物配方，以及这些化合物与至少一种额外治疗剂的组合。
• PHTHALAZINONE DERIVATIVES
  申请人：Menear Keith Allan

  公开号：US20080280910A1

  公开（公告）日：2008-11-13

  A compound of the formula (I): wherein: A and B together represent an optionally substituted, fused aromatic ring or an optionally substituted, fused cyclohexene ring; D is selected from: where Y 1 is selected from CH and N, Y 2 is selected from CH and N, Y 3 is selected from CH, CF and N and Y 4 is selected from CH and N; where Y 1 is selected from CH and N and Y 2 is selected from CH and N; where Q is O or S; and where Q is O or S; and R D is an optionally substituted C 5-20 aryl group, bound to D by a carbon-carbon bond.

  化合物的公式(I)如下：其中：A和B一起表示一个可选择取代的融合芳香环或一个可选择取代的融合环己烯环；D从以下选取：其中Y1从CH和N中选取，Y2从CH和N中选取，Y3从CH、CF和N中选取，Y4从CH和N中选取；其中Y1从CH和N中选取，Y2从CH和N中选取；其中Q为O或S；且其中Q为O或S；RDis一个可选择取代的C5-20芳基基团，通过碳-碳键与D结合。
• Phthalazine derivatives as inhibitors of PARP1, PARP2, and/or tubulin useful for the treatment of cancer
  申请人：THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

  公开号：US10640493B2

  公开（公告）日：2020-05-05

  This invention provides, among other things, compounds useful for treating diseases such as cancer, pharmaceutical formulations containing such compounds, as well as combinations of these compounds with at least one additional therapeutic agent.

  除其他外，本发明还提供了用于治疗癌症等疾病的化合物、含有此类化合物的药物制剂，以及这些化合物与至少一种额外治疗剂的组合。
• PHTHALAZINE DERIVATIVES AS INHIBITORS OF PARP1, PARP2 AND/OR TUBULIN USEFUL FOR THE TREATMENT OF CANCER
  申请人：The Regents of the University of California

  公开号：EP3475272A1

  公开（公告）日：2019-05-01
• Phthalazine Derivatives as Inhibitors of PARP1, PARP2, and/or Tubulin Useful for the Treatment of Cancer
  申请人：THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

  公开号：US20190337928A1

  公开（公告）日：2019-11-07

  The application relates to phthalazine derivatives of formula (I) which are inhibitors of PARP1, PARP2 and/or tubulin and thus useful for the treatment of cancer. Also disclosed are pharmaceutical formulations containing such compounds, as well as combinations of these compounds with at least one additional therapeutic agent.