4-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-2-methoxybenzonitrile | 648423-70-5

• 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-methoxybenzonitrile
• 英文别名: trans-4-(2,5-dimethylpiperazin-1-yl)-2-methoxybenzonitrile
• CAS: 648423-70-5
• 化学式: C₁₄H₁₉N₃O
• 分子量: 245.324
• InChiKey: IUALLKJIEPTIQM-MNOVXSKESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  18
• 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：
  4

反应信息

• 作为反应物：
  描述：

  4-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-2-methoxybenzonitrile 、 Methyl (6-trifluoromethyl-pyridin-3-yl]-carbamate 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 甲苯 为溶剂， 反应 8.0h， 生成 (2R,5S)-4-(4-cyano-3-methoxyphenyl)-2,5-dimethyl-N-(6-trifluoromethyl-3-pyridyl)piperazine-1-carboxamide
  参考文献：
  名称：

  N-PHENYL-(2R,5S)DIMETHYLPIPERAZINE DERIVATIVE

  摘要：

  公开号：

  EP1557411B1
• 作为产物：
  描述：

  4-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-2-fluorobenzonitrile 、 trans-4-(2,5-dimethylpiperazin-1-yl)-2-fluorobenzonitrile 在 potassium tert-butylate 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 48.5h， 生成 4-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-2-methoxybenzonitrile 、 trans-4-(2,5-dimethylpiperazin-1-yl)-2-methoxybenzonitrile
  参考文献：
  名称：

  Cyanophenyl derivative

  摘要：

  该申请涉及一种哌嗪取代的新型氰基苯基衍生物，其中带有芳基、杂环或类似的基团的取代羰酰基或取代磺酰基与哌嗪环上的一个氮原子结合。该申请的化合物具有抗雄激素作用，并可用于预防或治疗前列腺癌、良性前列腺增生等疾病。

  公开号：

  US06673799B1

文献信息

• NOVEL UREAS HAVING ANDROGEN RECEPTOR DEGRADATION ACTIVITY AND USES THEREOF
  申请人：ACCUTAR BIOTECHNOLOGY INC.

  公开号：US20210087170A1

  公开（公告）日：2021-03-25

  The present disclosure relates to novel compounds, pharmaceutical compositions containing such compounds, and their use in prevention and treatment of cancer and related diseases and conditions. In some embodiments, the compounds disclosed herein exhibit androgen receptor degradation activity.

  本公开涉及新化合物，包含这些化合物的药物组合物，以及它们在预防和治疗癌症及相关疾病和症状中的应用。在某些实施例中，本文披露的化合物表现出雄激素受体降解活性。
• 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)dimethylpiperazine derivative
  申请人：Astellas Pharma Inc.

  公开号：US07666873B2

  公开（公告）日：2010-02-23

  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。