吗琳基(4-哌啶)甲酮 盐酸盐 | 63214-57-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 中文名称: 吗琳基(4-哌啶)甲酮 盐酸盐
• 中文别名: 吗琳基(4-哌啶)甲酮盐酸盐；吗琳基(4-哌啶)甲酮
• 英文名称: morpholino(piperidin-4-yl)methanone
• 英文别名: 4-(Piperidin-4-ylcarbonyl)morpholine；morpholin-4-yl(piperidin-4-yl)methanone
• CAS: 63214-57-3
• 化学式: C₁₀H₁₈N₂O₂
• mdl: MFCD03372501
• 分子量: 198.265
• InChiKey: UVDVXQHUTBCRKT-UHFFFAOYSA-N

物化性质

• 沸点：
  369.8±42.0 °C(Predicted)
• 密度：
  1.111±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• 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：
  3

安全信息

• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  吗琳基(4-哌啶)甲酮 盐酸盐 在 碳酸氢钠 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 N,N-二异丙基乙胺 、 lithium hydroxide 作用下， 以 二氯甲烷 、 水 、 丙酮 为溶剂， 反应 7.0h， 生成 N-((S)-4-methyl-1-(((S)-1-(((S)-4-methyl-1-((R)-2-methyloxiran-2-yl)-1-oxopentan-2-yl)amino)-1-oxo-3-phenylpropan-2-yl)amino)-1-oxopentan-2-yl)-4-(morpholine-4-carbonyl)piperidine-1-carboxamide
  参考文献：
  名称：

  Covalent docking modelling-based discovery of tripeptidyl epoxyketone proteasome inhibitors composed of aliphatic-heterocycles

  摘要：

  The potential of specific proteasome inhibitors to act as anti-cancer agents has attracted intensive investigations. The proteasome can be covalently inhibited by epoxyketone derivatives via a two-step reaction. Several computational approaches have been developed to mimic the covalent binding event. Compound 1 composed of a six-membered heterocyclic ring was designed by using covalent docking. With a possible different binding mode from the clinical compound Carfilzomib, it occupied the 55 pocket of 20S proteasome and showed favorable inhibitory activity. Subsequently optimization and evaluation were taken place. Among these compounds, 11h demonstrated extraordinary in vitro inhibitory activity and selectivity, and good in vivo proteasome inhibitory activity, a favorable pharmacokinetic profile and xenograft tumor inhibition. The possible binding pattern of compound 11h against proteasome was further fully explored via calculations, providing a theoretical basis for finding potent proteasome inhibitors. (C) 2018 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2018.12.064
• 作为产物：
  描述：

  4-(piperidine-1-carbonyl)-piperidine-1-carboxylic acid tert-butyl ester 在 盐酸 作用下， 以 甲醇 为溶剂， 反应 3.0h， 以400 mg的产率得到吗琳基(4-哌啶)甲酮 盐酸盐
  参考文献：
  名称：

  [EN] COMPOUNDS AND USES THEREOF
  [FR] COMPOSÉS ET UTILISATIONS DE CES DERNIERS

  摘要：

  本发明涉及对神经系统疾病治疗中有用的化合物。本发明的化合物，单独或与其他药用活性剂结合，可用于治疗或预防神经系统疾病。

  公开号：

  WO2018081167A1

文献信息

• [EN] PYRIDINE AND PYRIMIDINE BASED COMPOUNDS AS WNT SIGNALING PATHWAY INHIBITORS FOR THE TREATMENT OF CANCER<br/>[FR] COMPOSÉS À BASE DE PYRIDINE ET DE PYRIMIDINE EN TANT QU'INHIBITEURS DE LA VOIE DE SIGNALISATION WNT POUR LE TRAITEMENT DU CANCER
  申请人：CANCER REC TECH LTD

  公开号：WO2010041054A1

  公开（公告）日：2010-04-15

  The present invention relates to pyridine and pyrimidine based compounds, pharmaceutical compositions comprising these compounds and their potential use as therapeutic agents for the treatment and / or prevention of cancer.

  本发明涉及以吡啶和嘧啶为基础的化合物，包括这些化合物的药物组合物，以及它们作为治疗和/或预防癌症的潜在用途。
• [EN] CHEMICAL COMPOUNDS<br/>[FR] DERIVES DE THIENOPYRROLE SERVANT D'ANTAGONISTES DE GNRH
  申请人：ASTRAZENECA AB

  公开号：WO2005080400A1

  公开（公告）日：2005-09-01

  The invention relates to a group of novel thieno-pyrrole compounds of Formula (I) wherein: R1, R2, R3, R4 and R5 are as defined in the specification, which compounds are useful as gonadotrophin releasing hormone antagonists. The invention also relates to pharmaceutical formulations of said compounds, methods of treatment using said compounds and to processes for the preparation of said compounds.

  这项发明涉及一组新型噻吩-吡咯化合物，其化学式为（I），其中：R1、R2、R3、R4和R5如规范中所定义，这些化合物可用作促性腺激素释放激素拮抗剂。该发明还涉及所述化合物的药物配方、使用所述化合物的治疗方法以及所述化合物的制备方法。
• [EN] NOVEL COMPOUNDS AND COMPOSITIONS FOR INHIBITION OF FASN<br/>[FR] NOUVEAUX COMPOSÉS ET COMPOSITIONS POUR L'INHIBITION DE FASN
  申请人：FORMA THERAPEUTICS INC

  公开号：WO2014164749A1

  公开（公告）日：2014-10-09

  The present invention relates to compounds and composition for inhibition of FASN, their synthesis, applications, and antidotes. An illustrative compound of the invention is shown below:

  本发明涉及用于抑制FASN的化合物和组合物，其合成、应用和解毒剂。本发明的一个示例化合物如下所示：
• Synthesis and biological activity of new 2,4,6-trisubstituted triazines as potential phosphoinositide 3-kinase inhibitors
  作者：Minhang Xin、Hui-Yan Wang、Hao Zhang、Ying Shen、San-Qi Zhang

  DOI：10.1177/1747519820904844

  日期：2020.7

  antiproliferative activity against HCT-116 and MCF-7. Compounds B18 and B19 showed the best antiproliferative activity. Further study showed B18 and B19 inhibited four phosphoinositide 3-kinase isoforms and mammalian target of rapamycin with good potency. These results demonstrate that 2,4,6-trisubstituted triazines are potentially useful phosphoinositide 3-kinase inhibitors for the development of new anticancer

  合成和生物学评价了 25 种新型 2,4,6-三取代三嗪。大多数合成的化合物对 HCT-116 和 MCF-7 显示出良好的抗增殖活性。化合物B18和B19显示出最好的抗增殖活性。进一步的研究表明，B18 和 B19 可以很好地抑制四种磷酸肌醇 3-激酶同种型和雷帕霉素的哺乳动物靶点。这些结果表明，2,4,6-三取代三嗪是潜在有用的磷酸肌醇 3-激酶抑制剂，可用于开发新的抗癌药物。
• TRIPEPTIDE EPOXYKETONE COMPOUND CONSTRUCTED BY HETEROCYCLE AND PREPARATION METHOD AND USE THEREOF
  申请人：ZHEJIANG UNIVERSITY

  公开号：US20170022250A1

  公开（公告）日：2017-01-26

  Disclosed are a tripeptide epoxyketone compound, a preparation method thereof, and a use thereof in the preparation of anti-tumor drugs.

  公开了一种三肽环氧酮化合物，其制备方法及其在抗肿瘤药物制备中的用途。