5-[3-(4-hydroxyphenyl)-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile | 951753-40-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑烷类
• 英文名称: 5-[3-(4-hydroxyphenyl)-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile
• 英文别名: 5-[3-(4-hydroxyphenyl)-4,4-dimethyl-5-oxo-2-thioxoimidazolidin-1-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile；5-(3-(4-hydroxyphenyl)-4,4-dimethyl-5-oxo-2-thioxoimidazolidin-1-yl)-3-(trifluoromethyl)picolinonitrile；5-[3-(4-Hydroxyphenyl)-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile
• CAS: 951753-40-5
• 化学式: C₁₈H₁₃F₃N₄O₂S
• 分子量: 406.388
• InChiKey: XDMFMJFVWVJZOL-UHFFFAOYSA-N

物化性质

• 沸点：
  573.8±60.0 °C(Predicted)
• 密度：
  1.56±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  28
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  113
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  5-[3-(4-hydroxyphenyl)-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile 在 盐酸 、 caesium carbonate 、 三乙胺 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 50.03h， 生成 methyl 2-(4-(2-(4-(3-(6-cyano-5-(trifluoromethyl)pyridin-3-yl)-5,5-dimethyl-4-oxo-2-thioxoimidazolidin-1-yl)phenoxy)ethyl)piperazin-1-yl)acetate
  参考文献：
  名称：

  WO2020132014A5

  摘要：

  公开号：

  WO2020132014A5
• 作为产物：
  描述：

  5-氨基-3-(三氟甲基)氰基吡啶 以 N,N-二甲基乙酰胺 、 水 为溶剂， 反应 6.0h， 生成 5-[3-(4-hydroxyphenyl)-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile
  参考文献：
  名称：

  WO2020132014A5

  摘要：

  公开号：

  WO2020132014A5

文献信息

• COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR
  申请人：Arvinas, Inc.

  公开号：US20180099940A1

  公开（公告）日：2018-04-12

  The present disclosure relates to bifunctional compounds, which find utility to degrade and (inhibit) Androgen Receptor. In particular, the present disclosure is directed to compounds, which contain on one end a cereblon ligand which binds to the E3 ubiquitin ligase and on the other end a moiety which binds Androgen Receptor, such that Androgen Receptor is placed in proximity to the ubiquitin ligase to effect degradation (and inhibition) of Androgen Receptor. The present disclosure exhibits a broad range of pharmacological activities associated with compounds according to the present disclosure, consistent with the degradation/inhibition of Androgen Receptor.

  本公开涉及双功能化合物，其用于降解和（抑制）雄激素受体。具体而言，本公开涉及包含一端结合到E3泛素连接酶的谷氨酰腺苷环配体，另一端结合到雄激素受体的部分的化合物，使得雄激素受体与泛素连接酶靠近，以实现雄激素受体的降解（和抑制）。本公开展示了与根据本公开涉及的化合物相关的广泛的药理活性范围，与雄激素受体的降解/抑制一致。
• [EN] COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF THE ANDROGEN RECEPTOR<br/>[FR] COMPOSÉS ET PROCÉDÉS POUR LA DÉGRADATION CIBLÉE DU RÉCEPTEUR DES ANDROGÈNES
  申请人：ARVINAS INC

  公开号：WO2016118666A1

  公开（公告）日：2016-07-28

  The present invention relates to bifunctional compounds, which find utility to degrade and (inhibit) Androgen Receptor. In particular, the present invention is directed to compounds, which contain on one end a VHL ligand which binds to the ubiquitin ligase and on the other end a moiety which binds Androgen Receptor such that Androgen Receptor is placed in proximity to the ubiquitin ligase to effect degradation (and inhibition) of Androgen Receptor. The present invention exhibits a broad range of pharmacological activities associated with compounds according to the present invention, consistent with the degradation/inhibition of Androgen Receptor.

  本发明涉及双功能化合物，其可用于降解和（抑制）雄激素受体。具体而言，本发明涉及含有一端与泛素连接酶结合的VHL配体，另一端含有与雄激素受体结合的部分的化合物，使得雄激素受体与泛素连接酶靠近以实现雄激素受体的降解（和抑制）。本发明展示了与根据本发明的化合物相关的广泛的药理活性，与雄激素受体的降解/抑制一致。
• [EN] ANDROGEN RECEPTOR MODULATORS AND USES THEREOF<br/>[FR] MODULATEURS DU RÉCEPTEUR DES ANDROGÈNES ET LEURS UTILISATIONS
  申请人：ARAGON PHARMACEUTICALS INC

  公开号：WO2011103202A2

  公开（公告）日：2011-08-25

  Described herein are compounds that are androgen receptor modulators. Also described are pharmaceutical compositions and medicaments that include the compounds described herein, as well as methods of using such androgen receptor modulators, alone and in combination with other compounds, for treating diseases or conditions that are mediated or dependent upon androgen receptors.

  本文介绍的是雄激素受体调节剂化合物。还描述了包括所述化合物的制药组合物和药物，以及使用这种雄激素受体调节剂，单独或与其他化合物结合使用，治疗与雄激素受体有关或依赖于雄激素受体的疾病或病症的方法。
• ANDROGEN RECEPTOR MODULATORS AND USES THEREOF
  申请人：Smith Nicholas D.

  公开号：US20130116258A1

  公开（公告）日：2013-05-09

  Described herein are compounds that are androgen receptor modulators. Also described are pharmaceutical compositions and medicaments that include the compounds described herein, as well as methods of using such androgen receptor modulators, alone and in combination with other compounds, for treating diseases or conditions that are mediated or dependent upon androgen receptors.

  本文描述了一些雄激素受体调节剂化合物。还描述了包括上述化合物的药物组合物和药物，以及使用这些雄激素受体调节剂，单独或与其他化合物组合使用，治疗与雄激素受体相关或依赖的疾病或病症的方法。
• Androgen receptor modulators and uses thereof
  申请人：Aragon Pharmaceuticals, Inc.

  公开号：EP2824102A1

  公开（公告）日：2015-01-14

  Described herein are compounds (Ia) that are androgen receptor modulators. Also described are pharmaceutical compositions and medicaments that include the compounds described herein, as well as methods of using such androgen receptor modulators, alone and in combination with other compounds, for treating diseases or conditions that are mediated or dependent upon androgen receptors. The treatment of cancer is claimed.

  本文描述的化合物（Ia）是雄激素受体调节剂。还描述了包括本文所述化合物的药物组合物和药物，以及单独或与其他化合物结合使用这种雄激素受体调节剂治疗介导或依赖于雄激素受体的疾病或病症的方法。 要求治疗癌症。