2-(哌啶-1-基)乙酸叔丁酯 | 112257-22-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 2-(哌啶-1-基)乙酸叔丁酯
• 英文名称: tert-butyl 2-(piperazin-1-yl)acetate
• 英文别名: piperazine-1-acetic acid tert-butyl ester；tert-butyl 2-piperazin-1-ylacetate
• CAS: 112257-22-4
• 化学式: C₁₀H₂₀N₂O₂
• mdl: MFCD06659535
• 分子量: 200.281
• InChiKey: JOJBGPBSHQZRDA-UHFFFAOYSA-N

物化性质

• 沸点：
  275.4±25.0 °C(Predicted)
• 密度：
  0.998±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  41.6
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335
• 储存条件：
  应存储在2-8°C的环境中，避免光照，并保存于惰性气体中。

反应信息

• 作为反应物：
  描述：

  2-(哌啶-1-基)乙酸叔丁酯 在 potassium carbonate 、 三氟乙酸 作用下， 以 四氢呋喃 、 二氯甲烷 、 乙腈 为溶剂， 反应 40.0h， 生成 2-(4-(5-oxo-5-(3-(5-p-tolyl-1,3,4-oxadiazol-2-yl)phenylamino)pentyl)piperazin-1-yl)acetic acid
  参考文献：
  名称：

  Synthesis and structure–activity relationship of non-phosphorus-based fructose-1,6-bisphosphatase inhibitors: 2,5-Diphenyl-1,3,4-oxadiazoles

  摘要：

  With the aim of discovering a novel class of non-phosphorus-based fructose-1,6-bisphosphatase (FBPase) inhibitors, a series of 2,5-diphenyl-1,3,4-oxadiazoles were synthesized based on the hit compound (1) resulting from a high-throughput screening (HTS). Structure-activity relationship (SAR) studies led to the identification of several compounds with comparable inhibitory activities to AMP, the natural allosteric inhibitor of FBPase. Notably, compound 22 and 27b, bearing a terminal carboxyl or 1H-tetrazole, demonstrated remarkable inhibition to gluconeogenesis (GNG). In addition, both inhibition and binding mode to the enzyme were investigated by enzymatic kinetics and in silico experiments for representative compounds 16 and 22.

  DOI：

  10.1016/j.ejmech.2014.06.011
• 作为产物：
  描述：

  氯乙酸叔丁酯 在 palladium 10% on activated carbon 、 氢气 、 potassium carbonate 作用下， 以 甲醇 、 乙腈 为溶剂， 20.0~60.0 ℃ 、202.66 kPa 条件下， 反应 32.0h， 生成 2-(哌啶-1-基)乙酸叔丁酯
  参考文献：
  名称：

  [EN] BIFUNCTIONAL COMPOUNDS FOR DEGRADING BTK VIA UBIQUITIN PROTEOSOME PATHWAY
  [FR] COMPOSÉS BIFONCTIONNELS POUR LA DÉGRADATION DE BTK PAR L'INTERMÉDIAIRE DE LA VOIE DE L'UBIQUITINE-PROTÉOSOME

  摘要：

  本发明涉及一种通过泛素蛋白酶途径降解BTK的化合物（I）的公式，还提供包含所述化合物的药学上可接受的组合物以及使用这些组合物治疗各种疾病、状况或障碍的方法。

  公开号：

  WO2021091575A1

文献信息

• BRM TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE
  申请人：Arvinas Operations, Inc.

  公开号：US20190300521A1

  公开（公告）日：2019-10-03

  The present disclosure relates to bifunctional compounds, which find utility as modulators of SMARCA2 or BRM (target protein). In particular, the present disclosure is directed to bifunctional compounds, which contain on one end a ligand that binds to the Von Hippel-Lindau 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SMARCA2或BRM（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结合Von Hippel-Lindau E3泛素连接酶的配体，另一端结合靶蛋白的双功能化合物，使得靶蛋白与泛素连接酶靠近以实现靶蛋白的降解（和抑制）。本公开展示了与靶蛋白降解/抑制相关的广泛药理活性。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。
• [EN] MACROCYLIC PYRIDINE DERIVATIVES<br/>[FR] DÉRIVÉS DE PYRIDINE MACROCYCLIQUES
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2015150557A1

  公开（公告）日：2015-10-08

  The present invention relates to substituted macrocylic pyrimidine derivatives of Formula (I) wherein the variables have the meaning defined in the claims. The compounds according to the present invention have EF2K inhibitory activity and optionally also Vps34 inhibitory activity. The invention further relates to processes for preparing such novel compounds, pharmaceutical compositions comprising said compounds as an active ingredient as well as the use of said compounds as a medicament.

  本发明涉及式（I）的取代大环嘧啶衍生物，其中变量的含义如权利要求中所定义。根据本发明的化合物具有EF2K抑制活性，还可能具有Vps34抑制活性。本发明还涉及制备这种新化合物的方法，包含所述化合物作为活性成分的药物组合物，以及将所述化合物用作药物的用途。
• PIPERAZINE CARBAMATES AND METHODS OF MAKING AND USING SAME
  申请人：ABIDE THERAPEUTICS, INC.

  公开号：US20190202801A1

  公开（公告）日：2019-07-04

  Provided herein are piperazine carbamates and pharmaceutical compositions comprising said compounds. The subject compounds and compositions are useful as modulators of MAGL and/or ABHD6. Furthermore, the subject compounds and compositions are useful for the treatment of pain.

  本文提供了哌嗪氨基甲酸酯和包含该化合物的药物组合物。所述化合物和组合物可用作MAGL和/或ABHD6的调节剂。此外，所述化合物和组合物可用于治疗疼痛。
• [EN] MACROCYLIC PYRIMIDINE DERIVATIVES<br/>[FR] DÉRIVÉS DE PYRIMIDINE MACROCYCLIQUES
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2015150555A1

  公开（公告）日：2015-10-08

  The present invention relates to substituted macrocylic pyrimidine derivatives of Formula (I) wherein the variables have the meaning defined in the claims. The compounds according to the present invention have EF2K inhibitory activity and optionally also Vps34 inhibitory activity. The invention further relates to processes for preparing such novel compounds, pharmaceutical compositions comprising said compounds as an active ingredient as well as the use of said compounds as a medicament.

  本发明涉及式(I)的取代大环嘧啶衍生物，其中变量具有如权利要求中所定义的含义。根据本发明的化合物具有EF2K抑制活性，并且可选地也具有Vps34抑制活性。本发明还涉及制备这些新颖化合物的方法，包括将所述化合物作为活性成分的药物组合物以及将所述化合物用作药物的使用。
• CHROMOGENIC PEROXIDASE SUBSTRATES
  申请人：Dako Denmark A/S

  公开号：US20170175178A1

  公开（公告）日：2017-06-22

  Chromogenic conjugates for color-based detection of targets are described. The conjugates comprise a chromogenic moiety such as rhodamine, rhodol or fluorescein. The chromogenic moiety is linked to a peroxidase substrate. The chromogenic conjugates can be used in immunohistochemical analysis and in situ hybridization. The conjugates can be used to detect 1, 2, 3 or more targets in a sample by color.

  描述了用于基于颜色的目标检测的色素结合物。这些结合物包含一个色素部分，例如罗丹明、罗丹醇或荧光素。色素部分与过氧化物酶底物相连。色素结合物可用于免疫组织化学分析和原位杂交。这些结合物可以通过颜色检测样品中的1个、2个、3个或更多目标。