4-(3-(4-(cyclopentyloxy)piperidine-1-carbonyl)-4-fluorobenzyl)phthalazin-1(2H)-one | 1174043-68-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-(3-(4-(cyclopentyloxy)piperidine-1-carbonyl)-4-fluorobenzyl)phthalazin-1(2H)-one
• 英文别名: 4-[[3-(4-cyclopentyloxypiperidine-1-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one
• CAS: 1174043-68-5
• 化学式: C₂₆H₂₈FN₃O₃
• 分子量: 449.525
• InChiKey: YJRJXUIDVPGJTN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  33
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  71
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  5-[(3,4-二氢-4-氧代-1-酞嗪基)甲基]-2-氟苯甲酸 、 4-(cyclopentyloxy)piperidine hydrochloride 在 O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 、 三乙胺 作用下， 以 异丁酰胺 为溶剂， 反应 72.0h， 以37.2%的产率得到4-(3-(4-(cyclopentyloxy)piperidine-1-carbonyl)-4-fluorobenzyl)phthalazin-1(2H)-one
  参考文献：
  名称：

  PHTHALAZINONE DERIVATIVES

  摘要：

  其中： A和B一起代表一个可选取代的融合芳香环；X和Y分别从CH和CH、CF和CH、CH和CF以及N和CH中选择；RC从H、C1-4烷基中选择；R1从C1-7烷基、C3-20杂环烷基和C5-20芳基中选择，这些基团可选取代；或者RC和R1与它们连接的碳和氧原子一起形成一个可选取代或与C5-7芳香环融合的螺环C5-7含氧杂环基。

  公开号：

  US20090192156A1

文献信息

• Phthalazinone derivatives
  申请人：AstraZeneca AB

  公开号：US08129380B2

  公开（公告）日：2012-03-06

  A compound of the formula (I): wherein: A and B together represent an optionally substituted, fused aromatic ring; X and Y are selected from CH and CH, CF and CH, CH and CF and N and CH respectively; RC is selected from H, C1-4 alkyl; and R1 is selected from C1-7 alkyl, C3-20 heterocyclyl and C5-20 aryl, which groups are optionally substituted; or RC and R1 together with the carbon and oxygen atoms to which they are attached form a spiro-C5-7 oxygen-containing heterocyclic group, which is optionally substituted or fused to a C5-7 aromatic ring.

  化合物的式子（I）： 其中： A 和 B 一起代表一个可选取取代基的融合芳香环； X 和 Y 分别从 CH 和 CH、CF 和 CH、CH 和 CF 和 N 和 CH 中选择； RC 从 H、C1-4 烷基中选择； R1 从 C1-7 烷基、C3-20 杂环基和 C5-20 芳基中选择，这些基团可选取取代基；或者 RC 和 R1 与它们附着的碳和氧原子一起形成一个螺环-C5-7 含氧杂环基，该基团可选取取代基或融合到一个 C5-7 芳香环中。
• US8129380B2
  申请人：——

  公开号：US8129380B2

  公开（公告）日：2012-03-06
• [EN] PHTHALAZINONE DERIVATIVES<br/>[FR] DÉRIVÉS DE PHTALAZINONE
  申请人：ASTRAZENECA AB

  公开号：WO2009093032A1

  公开（公告）日：2009-07-30

  A compound of the formula (I): wherein: A and B together represent an optionally substituted, fused aromatic ring; X and Y are selected from CH and CH, CF and CH, CH and CF and N and CH respectively; Rc is selected from H, C1.4 alkyl; and R1 is selected from C1-7 alkyI, C3-20 heterocydyl and C5-20 aryl, which groups are optionally substituted; or Rc and R1 together with the carbon and oxygen atoms to which they are attached form a spiro-C5-7 oxygen-containing heterocyclic group, which is optionally substituted or fused to a C5-7 aromatic ring. These compounds are useful in the preparation of a medicament for inhibiting the activity of PARP for the treatment of : vascular disease; septic shock;ischaemic injury;neurotoxicity;haemorraghic shock;viral infection; or for use as an adjunct in cancer therapy or for potentiating tumour cells for treatment with ionizing radiation or chemotherapeutic agents.
• PHTHALAZINONE DERIVATIVES
  申请人：MENEAR Keith Allan

  公开号：US20090192156A1

  公开（公告）日：2009-07-30

  A compound of the formula (I): wherein: A and B together represent an optionally substituted, fused aromatic ring; X and Y are selected from CH and CH, CF and CH, CH and CF and N and CH respectively; R C is selected from H, C 1-4 alkyl; and R 1 is selected from C 1-7 alkyl, C 3-20 heterocyclyl and C 5-20 aryl, which groups are optionally substituted; or R C and R 1 together with the carbon and oxygen atoms to which they are attached form a spiro-C 5-7 oxygen-containing heterocyclic group, which is optionally substituted or fused to a C 5-7 aromatic ring.

  其中： A和B一起代表一个可选取代的融合芳香环；X和Y分别从CH和CH、CF和CH、CH和CF以及N和CH中选择；RC从H、C1-4烷基中选择；R1从C1-7烷基、C3-20杂环烷基和C5-20芳基中选择，这些基团可选取代；或者RC和R1与它们连接的碳和氧原子一起形成一个可选取代或与C5-7芳香环融合的螺环C5-7含氧杂环基。