methyl 5-(4-tert-butoxycarbonylpiperazin-1-yl)pyrimidine-2-carboxylate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: methyl 5-(4-tert-butoxycarbonylpiperazin-1-yl)pyrimidine-2-carboxylate
• 英文别名: methyl 5-[4-[(1,1-dimethylethoxy)carbonyl]-1-piperazinyl]-2-pyrimidinecarboxylate；Methyl 5-(4-Boc-1-piperazinyl)pyrimidine-2-carboxylate；methyl 5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrimidine-2-carboxylate
• 化学式: C₁₅H₂₂N₄O₄
• 分子量: 322.364
• InChiKey: DRRZFYFGFTUIJM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  84.9
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  methyl 5-(4-tert-butoxycarbonylpiperazin-1-yl)pyrimidine-2-carboxylate 在 水 、 lithium hydroxide 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 3.0h， 以40%的产率得到Lithium(1+) ion 5-{4-[(tert-butoxy)carbonyl]piperazin-1-yl}pyrimidine-2-carboxylate
  参考文献：
  名称：

  [EN] PYRIMIDINE AND PYRAZINE HDAC1,2 INHIBITORS
  [FR] INHIBITEURS DE PYRIMIDINE ET DE PYRAZINE HDAC 1, 2

  摘要：

  本文提供了化合物、含有这些化合物的药物组合物，以及使用这些化合物治疗与HDAC1和/或HDAC2活性相关的疾病或障碍的方法。

  公开号：

  WO2020076951A1
• 作为产物：
  描述：

  5-溴嘧啶-2-羧酸 在 tris-(dibenzylideneacetone)dipalladium(0) 、 草酰氯 、 caesium carbonate 、 2-二环己基磷-2',6'-二异丙氧基-1,1'-联苯 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 37.83h， 生成 methyl 5-(4-tert-butoxycarbonylpiperazin-1-yl)pyrimidine-2-carboxylate
  参考文献：
  名称：

  [EN] CHEMICAL LINKERS
  [FR] LIEURS CHIMIQUES

  摘要：

  Heterobifunctional chemical linkers useful in protein degraders and other medicinal chemistry applications are provided. The heterobifunctional linkers include alkyne-piperidine and alkane-piperidine linkers; alkane- piperazine linkers; alkanamino PEGylated linkers; dipiperazine linkers; piperazine-pyridine/pyrimidine-alkyne linkers; pyridine-PEG-piperazine linkers and pyrimidine-piperazine-PEG linkers. Also provided are combinations of the provided linkers with a ligand that targets a degradation pathway, such as an E3 ubiquitin ligase enzyme.

  公开号：

  WO2023122481A2

文献信息

• [EN] COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR<br/>[FR] COMPOSÉS ET MÉTHODES POUR LA DÉGRADATION CIBLÉE DU RÉCEPTEUR DES ANDROGÈNES
  申请人：ARVINAS OPERATIONS INC

  公开号：WO2021127443A1

  公开（公告）日：2021-06-24

  This disclosure pertains to compounds, the preparation thereof, and the use of these compounds in the treatment of prostate cancer, including metastatic and/or castrate-resistant prostate cancer, in subjects in need thereof.

  这项披露涉及化合物、其制备以及在需要的受试者中治疗前列腺癌，包括转移性和/或去势抵抗性前列腺癌中使用这些化合物的用途。
• COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR
  申请人：Arvinas Operations, Inc.

  公开号：US20210196710A1

  公开（公告）日：2021-07-01

  This disclosure pertains to compounds, the preparation thereof, and the use of these compounds in the treatment of prostate cancer, including metastatic and/or castrate-resistant prostate cancer, in subjects in need thereof.
• PYRIMIDINE AND PYRAZINE HDAC1,2 INHIBITORS
  申请人：REGENACY PHARMACEUTICALS, LLC

  公开号：US20210332036A1

  公开（公告）日：2021-10-28

  Provided herein are compounds, pharmaceutical compositions comprising such compounds, and methods of using such compounds to treat diseases or disorders associated with HDAC1 and/or HDAC2 activity.
• [EN] PYRIMIDINE AND PYRAZINE HDAC1,2 INHIBITORS<br/>[FR] INHIBITEURS DE PYRIMIDINE ET DE PYRAZINE HDAC 1, 2
  申请人：REGENACY PHARMACEUTICALS LLC

  公开号：WO2020076951A1

  公开（公告）日：2020-04-16

  Provided herein are compounds, pharmaceutical compositions comprising such compounds, and methods of using such compounds to treat diseases or disorders associated with HDAC1 and/or HDAC2 activity.

  本文提供了化合物、含有这些化合物的药物组合物，以及使用这些化合物治疗与HDAC1和/或HDAC2活性相关的疾病或障碍的方法。
• [EN] CHEMICAL LINKERS<br/>[FR] LIEURS CHIMIQUES
  申请人：[en]SIGMA-ALDRICH CO. LLC

  公开号：WO2023122481A2

  公开（公告）日：2023-06-29

  Heterobifunctional chemical linkers useful in protein degraders and other medicinal chemistry applications are provided. The heterobifunctional linkers include alkyne-piperidine and alkane-piperidine linkers; alkane- piperazine linkers; alkanamino PEGylated linkers; dipiperazine linkers; piperazine-pyridine/pyrimidine-alkyne linkers; pyridine-PEG-piperazine linkers and pyrimidine-piperazine-PEG linkers. Also provided are combinations of the provided linkers with a ligand that targets a degradation pathway, such as an E3 ubiquitin ligase enzyme.