2-fluoro-5-[(E)-(3-oxo-2-benzofuran-1-ylidene)methyl]benzonitrile | 763114-25-6

• 物质功能分类: 有机原料 - 有机氟化合物 - 氟苯腈系列
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异香豆素
• 英文名称: 2-fluoro-5-[(E)-(3-oxo-2-benzofuran-1-ylidene)methyl]benzonitrile
• CAS: 763114-25-6
• 化学式: C₁₆H₈FNO₂
• 分子量: 265.24
• InChiKey: MMPHWTMMVPBHRZ-OVCLIPMQSA-N

物化性质

• 沸点：
  430.1±45.0 °C(Predicted)
• 密度：
  1.38
• 溶解度：
  可溶于二氯甲烷、四氢呋喃

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  20
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  50.1
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2932209090
• 危险性防范说明：
  P261,P280,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H332,H335

制备方法与用途

2-氟-5-[(3-氧代-1(3H)-异苯并呋喃亚基)甲基]苯腈用于制备聚(ADP-核糖)聚合酶（PARP）抑制剂，作为中间体。此外，它还用作奥拉帕尼的中间体。

文献信息

• [EN] TRICYCLIC INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE<br/>[FR] INHIBITEURS TRICYCLIQUES DE POLY(ADP-RIBOSE)POLYMÉRASE
  申请人：NEWGEN THERAPEUTICS INC

  公开号：WO2012166983A1

  公开（公告）日：2012-12-06

  The invention provides for compositions comprising phosphorous containing tricyclic compounds, including phthalazin-l(2H)-one derivatives. The compounds are potent inhibitors of the enzyme poly(ADP-ribose)polymerase (PARP), particularly PARP-1 and potentially PARP-2. The also show good cellular activity in inhibiting poly(ADP- ribose) oligomer formation. The compounds may be useful as mono-therapy or in combination with other therapeutic agents in the treatment conditions where PARP is implicated, such as cancer, inflammatory diseases and ischemic conditions. Thus, also provided are methods for the treatment of a condition where PARP is implicated comprising administering to an effective amount of a compound of the invention to an individual in need thereof.

  该发明提供了包含含磷三环化合物的组合物，包括邻苯二氮杂吲哚酮衍生物。这些化合物是酶聚(腺苷二磷酸核糖)聚合酶（PARP）的有效抑制剂，特别是PARP-1和潜在的PARP-2。它们还显示出在抑制聚(腺苷二磷酸核糖)寡聚物形成方面具有良好的细胞活性。这些化合物可能在单独治疗或与其他治疗剂联合治疗PARP参与的疾病条件中发挥作用，如癌症、炎症性疾病和缺血性疾病。因此，还提供了一种治疗PARP参与的疾病条件的方法，包括向需要的个体施用该发明化合物的有效量。
• PHTHALAZINONE DERIVATIVES
  申请人：Menear Keith Allan

  公开号：US20080146575A1

  公开（公告）日：2008-06-19

  4-[3-(4-cyclopropanecarbonyl-piperazine-1-carbonyl)-4-fluoro-benzyl]-2H-phthalazin-1-one as crystalline Form A.

  4-[3-(4-环丙烷羰基-哌嗪-1-羧酰)-4-氟苯基]-2H-邻菲啉-1-酮的结晶形式A。
• PHTHALAZINONE DERIVATIVE
  申请人：Menear Keith Allan

  公开号：US20090270617A1

  公开（公告）日：2009-10-29

  4-[3-(4-cyclopropanecarbonyl-piperazine-1-carbonyl)-4-fluoro-benzyl]-2H-phthalazin-1-one as crystalline Form A.

  4-[3-(4-环丙烷羰基哌嗪-1-羧酰)-4-氟苄基]-2H-邻菲啉-1-酮，结晶形式为A。
• TRICYCLIC INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE
  申请人：NewGen Therapeutics, Inc.

  公开号：US20140221314A1

  公开（公告）日：2014-08-07

  The invention provides for compositions comprising phosphorous containing tricyclic compounds, including phthalazin-1(2H)-one derivatives. The compounds are potent inhibitors of the enzyme poly(ADP-ribose)polymerase (PARP), particularly PARP-1 and potentially PARP-2. The also show good cellular activity in inhibiting poly(ADP-ribose) oligomer formation. The compounds may be useful as mono-therapy or in combination with other therapeutic agents in the treatment conditions where PARP is implicated, such as cancer, inflammatory diseases and ischemic conditions. Thus, also provided are methods for the treatment of a condition where PARP is implicated comprising administering to an effective amount of a compound of the invention to an individual in need thereof.

  本发明提供了包含含磷三环化合物的组合物，包括邻苯二酮-1(2H)-酮衍生物。这些化合物是聚(ADP-核糖)聚合酶(PARP)的有效抑制剂，特别是PARP-1和潜在的PARP-2。它们还表现出良好的细胞活性，能够抑制聚(ADP-核糖)寡聚体形成。这些化合物可用作单一治疗或与其他治疗药物联合使用，治疗PARP参与的疾病，如癌症、炎症性疾病和缺血性疾病。因此，本发明还提供了一种治疗PARP参与的疾病的方法，包括向需要的个体施用本发明化合物的有效量。
• Methods for the preparation of 4-[3-(4-cyclopropanecarbonyl- piperazine-1-carbonyl)-4-fluoro-benzyl]-2H-phthalazin-1-one
  申请人：Kudos Pharmaceuticals Limited

  公开号：EP2374800A2

  公开（公告）日：2011-10-12

  4-[3-(4-cyclopropanecarbonyl-piperazine-1-carbonyl)-4-fluoro-benzyl]-2H-phthalazin-1-one as crystalline Form A.

  4-[3-(4- 环丙基羰基-哌嗪-1-羰基)-4-氟苄基]-2H-酞嗪-1-酮的结晶形式 A。