4-(4-chloro-3-methylphenyl)-5-[4-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]oxyphenyl]-2,3-dihydro-1-benzothiepine-8-carboxylic acid

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 4-(4-chloro-3-methylphenyl)-5-[4-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]oxyphenyl]-2,3-dihydro-1-benzothiepine-8-carboxylic acid
• 英文别名: US11149031, Example 211
• 化学式: C₃₁H₃₁ClFNO₃S
• 分子量: 552.109
• InChiKey: PNYAWTLRZIWQJA-VWLOTQADSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  38
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  75.1
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  4-(4-chloro-3-methylphenyl)-5-[4-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]oxyphenyl]-2,3-dihydro-1-benzothiepin-8-ol 在 吡啶 、 1,1'-双(二苯基膦)二茂铁 、 水 、 palladium diacetate 作用下， 以 二氯甲烷 为溶剂， 反应 1.33h， 生成 4-(4-chloro-3-methylphenyl)-5-[4-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]oxyphenyl]-2,3-dihydro-1-benzothiepine-8-carboxylic acid
  参考文献：
  名称：

  [EN] NOVEL SUBSTITUTED N-(3-FLUOROPROPYL)-PYRROLIDINE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF
  [FR] NOUVEAUX COMPOSÉS N-(3-FLUOROPROPYL)-PYRROLIDINE SUBSTITUÉS, LEURS PROCÉDÉS DE PRÉPARATION ET LEURS UTILISATIONS THÉRAPEUTIQUES

  摘要：

  本发明涉及新型的取代的N-(3-氟丙基)吡咯烷化合物，其化学式为(l-A)：其中R1和R2分别独立代表一个氢原子或一个氘原子；A代表一个氧原子或氮原子；SERM-F代表一个选择性雌激素受体调节剂片段，该片段包含与邻近的“A”基团相连的芳基或杂芳基。本发明还涉及化合物(l-A)的制备方法以及作为雌激素受体的抑制剂和降解剂的医疗用途。

  公开号：

  WO2018091153A1

文献信息

• NOVEL SUBSTITUTED N-(3-FLUOROPROPYL)-PYRROLIDINE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF
  申请人：SANOFI

  公开号：US20200361918A1

  公开（公告）日：2020-11-19

  The present disclosure relates to novel substituted N-(3-fluoropropyl)-pyrrolidine compounds of formula (I-A), wherein R1 and R2 represent independently a hydrogen atom or a deuterium atom; A represents an oxygen or nitrogen atom; and SERM-F represents a selective estrogen receptor modulator fragment comprising an aryl or heteroaryl group linked to the adjacent “A” group. The disclosure also relates to the preparation and to the therapeutic uses of the compounds of formula (I-A) as inhibitors and degraders of estrogen receptors.

  本公开涉及新型取代的N-(3-氟丙基)吡咯烷化合物，其化学式为(I-A)，其中R1和R2分别独立代表一个氢原子或一个氘原子；A代表一个氧原子或氮原子；SERM-F代表一个选择性的雌激素受体调节剂片段，该片段包含一个与相邻“A”基团连接的芳基或杂芳基团。本公开还涉及化合物(I-A)的制备以及作为雌激素受体的抑制剂和降解剂的药物用途。
• Substituted N-(3-fluoropropyl)-pyrrolidine compounds, processes for their preparation and therapeutic uses thereof
  申请人：SANOFI

  公开号：US11149031B2

  公开（公告）日：2021-10-19

  The present disclosure relates to novel substituted N-(3-fluoropropyl)-pyrrolidine compounds of formula (I-A), wherein R1 and R2 represent independently a hydrogen atom or a deuterium atom; A represents an oxygen or nitrogen atom; and SERM-F represents a selective estrogen receptor modulator fragment comprising an aryl or heteroaryl group linked to the adjacent “A” group. The disclosure also relates to the preparation and to the therapeutic uses of the compounds of formula (I-A) as inhibitors and degraders of estrogen receptors.

  本公开涉及新型取代的 N-(3-氟丙基)-吡咯烷式(I-A)化合物，其中 R1 和 R2 独立地代表氢原子或氘原子；A 代表氧原子或氮原子；SERM-F 代表选择性雌激素受体调节剂片段，包括与相邻 "A "基团相连的芳基或杂芳基。本公开还涉及式（I-A）化合物作为雌激素受体抑制剂和降解剂的制备和治疗用途。
• Novel Substituted N-(3-Fluoropropyl)-Pyrrolidine Compounds, Processes for their Preparation and Therapeutic Uses Thereof
  申请人：Sanofi

  公开号：US20220204488A1

  公开（公告）日：2022-06-30

  The present invention relates to novel substituted N-(3-fluoropropyl)-pyrrolidine compounds of formula (I-A): wherein R1 and R2 represent independently a hydrogen atom or a deuterium atom; A represents an oxygen or nitrogen atom; and SERM-F represents a selective estrogen receptor modulator fragment comprising an aryl or heteroaryl group linked to the adjacent “A” group. The invention also relates to the preparation and to the therapeutic uses of the compounds of formula (I-A) as inhibitors and degraders of estrogen receptors.
• [EN] NOVEL SUBSTITUTED N-(3-FLUOROPROPYL)-PYRROLIDINE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF<br/>[FR] NOUVEAUX COMPOSÉS N-(3-FLUOROPROPYL)-PYRROLIDINE SUBSTITUÉS, LEURS PROCÉDÉS DE PRÉPARATION ET LEURS UTILISATIONS THÉRAPEUTIQUES
  申请人：SANOFI SA

  公开号：WO2018091153A1

  公开（公告）日：2018-05-24

  The present invention relates to novel substituted N-(3-fluoropropyl)-pyrrolidine compounds of formula (l-A): wherein R1 and R2 represent independently a hydrogen atom or a deuterium atom; A represents an oxygen or nitrogen atom; and SERM-F represents a selective estrogen receptor modulator fragment comprising an aryl or heteroaryl group linked to the adjacent "A" group. The invention also relates to the preparation and to the therapeutic uses of the compounds of formula (l-A) as inhibitors and degraders of estrogen receptors.

  本发明涉及新型的取代的N-(3-氟丙基)吡咯烷化合物，其化学式为(l-A)：其中R1和R2分别独立代表一个氢原子或一个氘原子；A代表一个氧原子或氮原子；SERM-F代表一个选择性雌激素受体调节剂片段，该片段包含与邻近的“A”基团相连的芳基或杂芳基。本发明还涉及化合物(l-A)的制备方法以及作为雌激素受体的抑制剂和降解剂的医疗用途。