methyl 2-bromo-4,6-difluorobenzoate | 1379336-54-5

• 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: methyl 2-bromo-4,6-difluorobenzoate
• 英文别名: Methyl 2-bromo-4,6-difluorobenzoate
• CAS: 1379336-54-5
• 化学式: C₈H₅BrF₂O₂
• 分子量: 251.027
• InChiKey: GFYBACALZQKFBI-UHFFFAOYSA-N

物化性质

• 沸点：
  245.0±40.0 °C(Predicted)
• 密度：
  1.652±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  methyl 2-bromo-4,6-difluorobenzoate 在 三乙基硅烷 、 sodium acetate 、 palladium diacetate 、 sodium carbonate 、 N,N-二异丙基乙胺 、 三环己基膦 作用下， 以 甲醇 、 二甲基亚砜 、 N,N-二甲基甲酰胺 为溶剂， 反应 49.0h， 生成 tert-butyl 4-(2-(2,6-dioxopiperidin-3-yl)-7-fluoro-1-oxoisoindolin-5-yl)piperazine-1-carboxylate
  参考文献：
  名称：

  SUBSTITUTED QUINOLINONE-8-CARBONITRILE DERIVATIVES HAVING ANDROGEN DEGRADATION ACTIVITY AND USES THEREOF

  摘要：

  The present disclosure relates to novel quinolinone-8-carbonitrile based compounds, pharmaceutical compositions containing such compounds, and their use in prevention and treatment of cancer and related diseases and conditions. The compounds disclosed herein exhibit androgen receptor degradation activity.

  公开号：

  WO2024102784A1
• 作为产物：
  描述：

  2-溴-4,6-二氟苯甲酸 、 碘甲烷 在 caesium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 生成 methyl 2-bromo-4,6-difluorobenzoate
  参考文献：
  名称：

  [EN] MODULATORS OF ESTROGEN RECEPTOR PROTEOLYSIS AND ASSOCIATED METHODS OF USE
  [FR] MODULATEURS DU RÉCEPTEUR DES ŒSTROGÈNES DE PROTÉOLYSE ET PROCÉDÉS D'UTILISATION ASSOCIÉS

  摘要：

  本公开涉及双功能化合物，其作为雌激素受体（靶蛋白）的调节剂具有实用性。具体而言，本公开涉及包含一端为 cereblon、Von Hippel-Lindau 配体结合基团、凋亡抑制蛋白或鼠双分子同源物 2 配体的双功能化合物，该化合物与相应的 E3 泛素连接酶结合，并且另一端含有结合靶蛋白的基团，使得靶蛋白与泛素连接酶靠近，以实现对靶蛋白的降解（和抑制）。本公开展示了与靶蛋白的降解/抑制相关的广泛药理活性范围。本公开的化合物和组合物用于治疗或预防由靶蛋白聚集或积累导致的疾病或紊乱。

  公开号：

  WO2018140809A1

文献信息

• [EN] MODULATORS OF ESTROGEN RECEPTOR PROTEOLYSIS AND ASSOCIATED METHODS OF USE<br/>[FR] MODULATEURS DU RÉCEPTEUR DES ŒSTROGÈNES DE PROTÉOLYSE ET PROCÉDÉS D'UTILISATION ASSOCIÉS
  申请人：ARVINAS INC

  公开号：WO2018140809A1

  公开（公告）日：2018-08-02

  The present disclosure relates to bifunctional compounds, which find utility as modulators of estrogen receptor (target protein). In particular, the present disclosure is directed to bifunctional compounds, which contain on one end a cereblon, Von Hippel-Lindau ligase-binding moiety, Inhibitors of Apotosis Proteins, or mouse double-minute homolog 2 ligand, which binds to the respective E3 ubiquitin ligase, and on the other end a moiety which binds the target protein, such that the target protein is placed in proximity to the ubiquitin ligase to effect degradation (and inhibition) of target protein. The present disclosure exhibits a broad range of pharmacological activities associated with degradation/inhibition of target protein. Diseases or disorders that result from aggregation or accumulation of the target protein are treated or prevented with compounds and compositions of the present disclosure.

  本公开涉及双功能化合物，其作为雌激素受体（靶蛋白）的调节剂具有实用性。具体而言，本公开涉及包含一端为 cereblon、Von Hippel-Lindau 配体结合基团、凋亡抑制蛋白或鼠双分子同源物 2 配体的双功能化合物，该化合物与相应的 E3 泛素连接酶结合，并且另一端含有结合靶蛋白的基团，使得靶蛋白与泛素连接酶靠近，以实现对靶蛋白的降解（和抑制）。本公开展示了与靶蛋白的降解/抑制相关的广泛药理活性范围。本公开的化合物和组合物用于治疗或预防由靶蛋白聚集或积累导致的疾病或紊乱。
• TETRAHYDRONAPHTHALENE AND TETRAHYDROISOQUINOLINE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS
  申请人：Arvinas Operations, Inc.

  公开号：EP3689868A1

  公开（公告）日：2020-08-05

  The present disclosure relates to bifunctional compounds, which find utility as modulators of estrogen receptor (target protein). In particular, the present disclosure is directed to bifunctional compounds, which contain on one end at least one of a Von Hippel-Lindau ligand, a cereblon ligand, Inhibitors of Apoptosis Proteins ligand, mouse double-minute homolog 2 ligand, or a combination thereof, which binds to the respective E3 ubiquitin ligase, and on the other end a moiety which binds the target protein, such that the target protein is placed in proximity to the ubiquitin ligase to effect degradation (and inhibition) of target protein. The present disclosure exhibits a broad range of pharmacological activities associated with degradation/inhibition of target protein. Diseases or disorders that result from aggregation or accumulation of the target protein are treated or prevented with compounds and compositions of the present disclosure.

  本公开涉及双功能化合物，它们可用作雌激素受体（靶蛋白）的调节剂。特别是，本公开涉及双功能化合物，其一端含有 Von Hippel-Lindau 配体、cereblon 配体、凋亡蛋白抑制剂配体、小鼠双敏同源物 2 配体或其组合中的至少一种、其一端与相应的 E3 泛素连接酶结合，另一端与靶蛋白结合，从而将靶蛋白置于泛素连接酶附近，以实现对靶蛋白的降解（和抑制）。本公开物具有与降解/抑制靶蛋白相关的广泛药理活性。本公开的化合物和组合物可以治疗或预防因目标蛋白聚集或积聚而导致的疾病或失调。
• [EN] TETRAHYDRONAPHTHALENE AND TETRAHYDROISOQUINOLINE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS<br/>[FR] DÉRIVÉS DE TÉTRAHYDRONAPHTALÈNE ET DE TÉTRAHYDROISOQUINOLÉINE EN TANT QU'AGENTS DE DÉGRADATION DES RÉCEPTEURS DES ŒSTROGÈNES
  申请人：ARVINAS INC

  公开号：WO2018102725A1

  公开（公告）日：2018-06-07

  The present disclosure relates to bifunctional compounds, which find utility as modulators of estrogen receptor (target protein). In particular, the present disclosure is directed to bifunctional compounds, which contain on one end at least one of a Von Hippel-Lindau ligand, a cereblon ligand, Inhibitors of Apoptosis Proteins ligand, mouse double-minute homolog 2 ligand, or a combination thereof, which binds to the respective E3 ubiquitin ligase, and on the other end a moiety which binds the target protein, such that the target protein is placed in proximity to the ubiquitin ligase to effect degradation (and inhibition) of target protein. The present disclosure exhibits a broad range of pharmacological activities associated with degradation/inhibition of target protein. Diseases or disorders that result from aggregation or accumulation of the target protein are treated or prevented with compounds and compositions of the present disclosure.
• SUBSTITUTED QUINOLINONE-8-CARBONITRILE DERIVATIVES HAVING ANDROGEN DEGRADATION ACTIVITY AND USES THEREOF
  申请人：[en]ACCUTAR BIOTECHNOLOGY, INC.

  公开号：WO2024102784A1

  公开（公告）日：2024-05-16

  The present disclosure relates to novel quinolinone-8-carbonitrile based compounds, pharmaceutical compositions containing such compounds, and their use in prevention and treatment of cancer and related diseases and conditions. The compounds disclosed herein exhibit androgen receptor degradation activity.