methyl 4-(4-{[2-(tert-butoxy)-2-oxoethoxy]methyl}phenoxy)benzoate

• 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: methyl 4-(4-{[2-(tert-butoxy)-2-oxoethoxy]methyl}phenoxy)benzoate
• 英文别名: Methyl 4-(4-{[2-(tert-butoxy)-2-oxoethoxy]methyl}phenoxy)benzoate；methyl 4-[4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]methyl]phenoxy]benzoate
• 化学式: C₂₁H₂₄O₆
• 分子量: 372.418
• InChiKey: AXRVFZKPCGZIDW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  27
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  71.1
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  methyl 4-(4-{[2-(tert-butoxy)-2-oxoethoxy]methyl}phenoxy)benzoate 以 盐酸 为溶剂， 反应 2.0h， 以to give titled product (yield: 95% based on crude) as an off white solid的产率得到2-({4-[4-(methoxycarbonyl)phenoxy]phenyl}methoxy)acetic acid
  参考文献：
  名称：

  COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR

  摘要：

  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结合到泛素连接酶的VHL配体和另一端结合雄激素受体的基团的化合物，使得雄激素受体靠近泛素连接酶，从而使雄激素受体发生降解（和抑制）。本发明展现了广泛的药理活性，与本发明的化合物的降解/抑制雄激素受体的作用一致。

  公开号：

  US20160214972A1
• 作为产物：
  描述：

  methyl 4-(4-formylphenoxy)benzoate 在 sodium tetrahydroborate 、 四丁基硫酸氢铵 、 sodium hydroxide 作用下， 以 甲醇 、 水 、 甲苯 为溶剂， 反应 17.5h， 生成 methyl 4-(4-{[2-(tert-butoxy)-2-oxoethoxy]methyl}phenoxy)benzoate
  参考文献：
  名称：

  [EN] COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF THE ANDROGEN RECEPTOR
  [FR] COMPOSÉS ET PROCÉDÉS POUR LA DÉGRADATION CIBLÉE DU RÉCEPTEUR DES ANDROGÈNES

  摘要：

  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。

  公开号：

  WO2016118666A1

文献信息

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

  公开号：US20160214972A1

  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结合到泛素连接酶的VHL配体和另一端结合雄激素受体的基团的化合物，使得雄激素受体靠近泛素连接酶，从而使雄激素受体发生降解（和抑制）。本发明展现了广泛的药理活性，与本发明的化合物的降解/抑制雄激素受体的作用一致。
• Compounds and methods for the targeted degradation of androgen receptor
  申请人：Arvinas, Inc.

  公开号：US11352351B2

  公开（公告）日：2022-06-07

  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，可用于降解和（抑制）雄激素受体。特别是，本发明涉及的化合物一端含有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分子，从而使雄激素受体靠近泛素连接酶，以实现对雄激素受体的降解（和抑制）。本发明显示了与根据本发明的化合物相关的广泛药理活性，与雄激素受体的降解/抑制一致。
• COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF THE ANDROGEN RECEPTOR
  申请人：Arvinas, Inc.

  公开号：EP3247708A1

  公开（公告）日：2017-11-29
• [EN] COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR<br/>[FR] COMPOSÉS ET PROCÉDÉS POUR LA DÉGRADATION CIBLÉE DU RÉCEPTEUR DES ANDROGÈNES
  申请人：ARVINAS INC

  公开号：WO2019023553A1

  公开（公告）日：2019-01-31

  The present disclosure 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.
• [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。