3-(4-溴苯氨基)-氮杂啶-1-羧酸叔丁酯 | 887579-54-6

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 3-(4-溴苯氨基)-氮杂啶-1-羧酸叔丁酯
• 英文名称: Tert-butyl 3-(4-bromoanilino)azetidine-1-carboxylate
• CAS: 887579-54-6
• 化学式: C₁₄H₁₉BrN₂O₂
• 分子量: 327.22
• InChiKey: JTJFAPGRYSESIB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  41.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-(4-溴苯氨基)-氮杂啶-1-羧酸叔丁酯 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 以93 %的产率得到N-(4-bromophenyl)azetidin-3-amine
  参考文献：
  名称：

  SUBSTITUTED TETRAHYDROCYCLOHEPTA[E]INDOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF

  摘要：

  Disclosed herein are compounds of the formula (I) or a pharmaceutically acceptable salt thereof wherein R1 and R2 independently represent a hydrogen atom or a deuterium atom; R3 and R3' represent a hydrogen atom, or a fluorine atom; R4 represents a hydrogen atom or a fluorine atom; R5 and R5' independently represent a hydrogen atom or a fluorine atom; Y represents -CH2-, -CH=, -CR9=, -O- or -NH-; (AA) represents a single bond or a double bond; p is 0 or 1; X represents -CH=, -N= or -CR"=; R6 represents a group selected from a phenyl group; a fused phenyl group; a phenyl group fused with a hetero(C4-C6)cycloalkyl; a bicyclic group comprising 5 to 12 carbon atoms; a heteroaryl group; a cycloalkyl group; a (C3-C6)cycloalkyl(C1-C3)alkyl group; a 4 to 7 membered-heterocycloalkyl group; a (C1-C6)alkyl group; a (C1-C6)alkenyl group; and a phenyl(C1-C2)alkyl group; R7 independently represents a (C1-C3)alkyl group, a halogen atom, a cyano group, or a (C1- C3)fluoroalkyl group; R8 represents a hydrogen atom or a (C1-C3)alkyl group or a cyclopropyl; and n is 0, 1 or 2. Further disclosed are process for preparing the same, pharmaceutical compositions comprising them as well as said compounds of formula (I) for use as an inhibitor and degrader of estrogen receptors, in particular in the treatment of ovulatory dysfunction, cancer, endometriosis, osteoporosis, benign prostatic hypertrophy or inflammation.

  公开号：

  WO2024052518A1

文献信息

• SUBSTITUTED TETRAHYDROCYCLOHEPTA[E]INDOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF
  申请人：[en]SANOFI

  公开号：WO2024052518A1

  公开（公告）日：2024-03-14

  Disclosed herein are compounds of the formula (I) or a pharmaceutically acceptable salt thereof wherein R1 and R2 independently represent a hydrogen atom or a deuterium atom; R3 and R3' represent a hydrogen atom, or a fluorine atom; R4 represents a hydrogen atom or a fluorine atom; R5 and R5' independently represent a hydrogen atom or a fluorine atom; Y represents -CH2-, -CH=, -CR9=, -O- or -NH-; (AA) represents a single bond or a double bond; p is 0 or 1; X represents -CH=, -N= or -CR"=; R6 represents a group selected from a phenyl group; a fused phenyl group; a phenyl group fused with a hetero(C4-C6)cycloalkyl; a bicyclic group comprising 5 to 12 carbon atoms; a heteroaryl group; a cycloalkyl group; a (C3-C6)cycloalkyl(C1-C3)alkyl group; a 4 to 7 membered-heterocycloalkyl group; a (C1-C6)alkyl group; a (C1-C6)alkenyl group; and a phenyl(C1-C2)alkyl group; R7 independently represents a (C1-C3)alkyl group, a halogen atom, a cyano group, or a (C1- C3)fluoroalkyl group; R8 represents a hydrogen atom or a (C1-C3)alkyl group or a cyclopropyl; and n is 0, 1 or 2. Further disclosed are process for preparing the same, pharmaceutical compositions comprising them as well as said compounds of formula (I) for use as an inhibitor and degrader of estrogen receptors, in particular in the treatment of ovulatory dysfunction, cancer, endometriosis, osteoporosis, benign prostatic hypertrophy or inflammation.