4-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-2-fluoro-6-methoxybenzonitrile | 648423-64-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 4-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-2-fluoro-6-methoxybenzonitrile
• CAS: 648423-64-7
• 化学式: C₁₄H₁₈FN₃O
• 分子量: 263.315
• InChiKey: NRXCZSHLVVWMBA-ZJUUUORDSA-N

物化性质

• 沸点：
  423.0±45.0 °C(Predicted)
• 密度：
  1.18±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  48.3
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-2-fluoro-6-methoxybenzonitrile 、 4-氰基苯异氰酸酯 在 乙酸乙酯 、 ethyl acetate n-hexane 作用下， 以 乙腈 为溶剂， 反应 1.0h， 以to obtain 535 mg of the title compound的产率得到(2R,5S)-4'-cyano-4-(4-cyano-3-fluoro-5-methoxyphenyl)-2,5-dimethylpiperazine-1-carboxanilide
  参考文献：
  名称：

  N-Phenyl-(2R,5S)Dimethylpiperazine Derivative

  摘要：

  本发明涉及一种新型N-苯基-(2R,5S)二甲基哌嗪衍生物，其作为抗雄激素剂具有足够的前列腺减少效果，与传统化合物相比具有出色的口服活性。本申请的化合物在预防或治疗前列腺癌、良性前列腺增生等方面具有用途。本发明还提供了一种新型中间体，用于制备本发明的化合物。

  公开号：

  US20080214543A1
• 作为产物：
  描述：

  4-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-2,6-difluorobenzonitrile 、 potassium tert-butylate 生成 4-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-2-fluoro-6-methoxybenzonitrile
  参考文献：
  名称：

  N-phenyl-(2R,5S)dimethylpiperazine derivative

  摘要：

  本发明涉及一种新型N-苯基-(2R,5S)二甲基哌嗪衍生物，其作为抗雄激素药物具有足够的前列腺缩小效果，与传统化合物相比具有优异的口服活性。本申请的化合物可用于预防或治疗前列腺癌、良性前列腺增生等疾病。本发明还提供了一种新型中间体，可用于生产本发明的化合物。

  公开号：

  US07666873B2

文献信息

• N-phenyl-(2r,5s) dimethylpiperadine derivative
  申请人：Taniguchi Nobuaki

  公开号：US20050261303A1

  公开（公告）日：2005-11-24

  The present invention relates to a novel N-phenyl-(2R,5S)dimethylpiperazine derivatives useful as antiandrogenic agent which exhibits a sufficient prostate gland reducing effect as compared with conventional compounds and are excellent in oral activity. The compound of the present application is useful in preventing or treating prostate cancer, benign prostatic hyperplasia, and the like. The present invention also provides a novel intermediate useful in producing the compound of the present invention.

  本发明涉及一种新型的N-苯基-(2R,5S)二甲基哌嗪衍生物，其作为抗雄激素剂具有足够的前列腺减少效果，与传统化合物相比具有出色的口服活性。本申请的化合物可用于预防或治疗前列腺癌、良性前列腺增生等疾病。本发明还提供了一种用于制备本发明化合物的新型中间体。
• N-Phenyl-(2R,5S)Dimethylpiperazine Derivative
  申请人：Taniguchi Nobuaki

  公开号：US20080214543A1

  公开（公告）日：2008-09-04

  The present invention relates to a novel N-phenyl-(2R,5S)dimethylpiperazine derivatives useful as antiandrogenic agent which exhibits a sufficient prostate gland reducing effect as compared with conventional compounds and are excellent in oral activity. The compound of the present application is useful in preventing or treating prostate cancer, benign prostatic hyperplasia, and the like. The present invention also provides a novel intermediate useful in producing the compound of the present invention.

  本发明涉及一种新型N-苯基-(2R,5S)二甲基哌嗪衍生物，其作为抗雄激素剂具有足够的前列腺减少效果，与传统化合物相比具有出色的口服活性。本申请的化合物在预防或治疗前列腺癌、良性前列腺增生等方面具有用途。本发明还提供了一种新型中间体，用于制备本发明的化合物。
• N-phenyl-(2R,5S) dimethylpiperazine derivative
  申请人：Astellas Pharma Inc.

  公开号：US07297698B2

  公开（公告）日：2007-11-20

  The present invention relates to a novel N-phenyl-(2R,5S)dimethylpiperazine derivatives useful as antiandrogenic agent which exhibits a sufficient prostate gland reducing effect as compared with conventional compounds and are excellent in oral activity. The compound of the present application is useful in preventing or treating prostate cancer, benign prostatic hyperplasia, and the like. The present invention also provides a novel intermediate useful in producing the compound of the present invention.

  本发明涉及一种新型N-苯基-(2R,5S)二甲基哌嗪衍生物，可用作抗雄激素剂，与传统化合物相比具有足够的前列腺缩小效果，并且口服活性优异。本申请的化合物可用于预防或治疗前列腺癌、良性前列腺增生等疾病。本发明还提供了一种新型中间体，用于生产本发明的化合物。
• N-PHENYL-(2R,5S)DIMETHYLPIPERADINE DERIVATIVE
  申请人：YAMANOUCHI PHARMACEUTICAL CO. LTD.

  公开号：EP1557411A1

  公开（公告）日：2005-07-27

  The present invention relates to a novel N-phenyl-(2R,5S)dimethylpiperazine derivatives useful as antiandrogenic agent which exhibits a sufficient prostate gland reducing effect as compared with conventional compounds and are excellent in oral activity. The compound of the present application is useful in preventing or treating prostate cancer, benign prostatic hyperplasia, and the like. The present invention also provides a novel intermediate useful in producing the compound of the present invention.

  本发明涉及一种新型 N-苯基-(2R,5S)二甲基哌嗪衍生物，可用作抗雄激素制剂，与传统化合物相比，该衍生物具有足够的前列腺抑制作用，且口服活性极佳。本申请的化合物可用于预防或治疗前列腺癌、良性前列腺增生症等。本发明还提供了一种可用于生产本发明化合物的新型中间体。
• N-PHENYL-(2R,5S)DIMETHYLPIPERAZINE DERIVATIVE
  申请人：Astellas Pharma Inc.

  公开号：EP1557411B1

  公开（公告）日：2012-10-17