2-methylpropan-2-yl 4-(acetyloxy)piperidine-1-carboxylate | 850452-53-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 2-methylpropan-2-yl 4-(acetyloxy)piperidine-1-carboxylate
• 英文别名: Tert-butyl 4-acetoxypiperidine-1-carboxylate；tert-butyl 4-acetyloxypiperidine-1-carboxylate
• CAS: 850452-53-8
• 化学式: C₁₂H₂₁NO₄
• mdl: MFCD12407044
• 分子量: 243.303
• InChiKey: MRZRKBZIOPWYKI-UHFFFAOYSA-N

物化性质

• 沸点：
  307.4±35.0 °C(Predicted)
• 密度：
  1.09±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.833
• 拓扑面积：
  55.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-methylpropan-2-yl 4-(acetyloxy)piperidine-1-carboxylate 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 以85.1%的产率得到哌啶-4-基乙酸酯
  参考文献：
  名称：

  [EN] C-3 NOVEL TRITERPENONE WITH C-17 REVERSE AMIDE DERIVATIVES AS HIV INHIBITORS
  [FR] NOUVEAU TRITERPÉNONE EN C-3 AVEC DES DÉRIVÉS D'AMIDE INVERSE EN C-17 EN TANT QU'INHIBITEURS DU VIH

  摘要：

  本发明涉及具有式（I）的C-17反酰胺化合物的C-3新型三萜酮，及其药学上可接受的盐，其中环式（II），R1、R2、R3、R4、R5、R6、R7，'n'和'm'如式（I）中所定义。该发明还涉及C-3新型三萜酮与C-17反酰胺衍生物、相关化合物和用于治疗病毒性疾病，特别是HIV介导疾病的药物组合物。

  公开号：

  WO2018029604A1
• 作为产物：
  描述：

  4-羟基哌啶盐酸盐 在 sodium hydroxide 作用下， 以 吡啶 、 水 为溶剂， 反应 7.0h， 生成 2-methylpropan-2-yl 4-(acetyloxy)piperidine-1-carboxylate
  参考文献：
  名称：

  N-[18F]fluoroethyl-4-piperidyl acetate ([18F]FEtP4A)

  摘要：

  N-[F-18]Fluoroethyl-4-piperidyl acetate ([F-18]FEtP4A) was synthesized and evaluated as a PET tracer for imaging brain acetylcholinesterase (AchE) in vivo. [F-18]FEtP4A was previously prepared by reacting 4-piperidyl acetate (P4A) with 2-[F-18]fluoroethyl bromide ([F-18]FEtBr) at 130degreesC for 30 min in 37% radiochemical yield using an automated synthetic system. In this work, [F-18]FEtP4A was synthesized by reacting P4A with 2-[F-18]fluoroethyl iodide (([1)8F]FEtI) or 2-[F-18]fluoroethyl triflate ([F-18]FEtOTf in improved radiochemical yields, compared with [F-18]FEtBr under the corresponding condition. Ex vivo autoradiogram of rat brain and PET summation image of monkey brain after iv injection of [F-18]FEtP4A displayed a high radioactivity in the striatum, a region with the highest AchE activity in the brain. Moreover, the distribution pattern of F-18 radioactivity was consistent with that of AchE in the brain: striatum > frontal cortex > cerebellum. In the rat and monkey plasma, two radioactive metabolites were detected. However, their presence might not preclude the imaging studies for AchE in the brain, because they were too hydrophilic to pass the blood-brain barrier and to enter the brain. In the rat brain, only [F-18]fluoroethyl-4-piperidinol ([F-18]FEtP4OH) was detected at 30 min postinjection. The hydrolytic [F-18]FEtP4OH displayed a slow washout and a long retention in the monkey brain until the PET experiment (120 min). Although [F-18]FEtP4A is a potential PET tracer for imaging AchE in vivo, its lower hydrolytic rate and lower specificity for AchE than those of [C-11]MP4A may limit its usefulness for the quantitative measurement for AchE in the primate brain. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(03)00177-9

文献信息

• [EN] NOVEL THIENOPYRIMIDINE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND THERAPEUTIC USES THEREOF<br/>[FR] NOUVEAUX DÉRIVÉS DE THIÉNOPYRIMIDINE, LEURS PROCÉDÉS DE PRÉPARATION ET LEURS UTILISATIONS THÉRAPEUTIQUES
  申请人：SANOFI SA

  公开号：WO2013150036A1

  公开（公告）日：2013-10-10

  The present invention relates to compounds of formula (I): wherein R6 is -CONH2 or a -C(Rα)(Rβ)(OH) group; R is a substituted phenyl or heteroaryl group; R7 is an optionally substituted aryl or heteroaryl group. Process for the preparation thereof and therapeutic use thereof.

  本发明涉及式(I)化合物的制备过程及其治疗用途：其中R6是-CONH2或一个-C(Rα)(Rβ)(OH)基团；R是一个取代的苯基或杂芳基团；R7是一个可选地取代的芳基或杂芳基团。
• Substituted Spiro-amide Compounds
  申请人：Schunk Stefan

  公开号：US20100249095A1

  公开（公告）日：2010-09-30

  Substituted spiro-amide compounds corresponding to formula I in which R5 through R8, D, X, Y and Z have defined meanings, processes for preparing such spiro-amide compounds, pharmaceutical compositions containing such compounds, and methods of using such spiro-amide compounds for treating and/or inhibiting disorders or disease states mediated at least in part by the bradykinin 1 receptor.

  将与式I相对应的螺环酰胺化合物替代为R5至R8、D、X、Y和Z具有定义含义的过程，用于制备这种螺环酰胺化合物，含有这种化合物的药物组合物，以及使用这种螺环酰胺化合物治疗和/或抑制至少部分由激肽酶1受体介导的疾病或疾病状态的方法。
• NOVEL THIENOPYRIMIDINE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND THERAPEUTIC USES THEREOF
  申请人：CARRY Jean-Christophe

  公开号：US20130261106A1

  公开（公告）日：2013-10-03

  The present invention relates to compounds of formula (I): wherein R6 is —CONH 2 or a —C(R α )(R β )(OH) group; R is a substituted phenyl or heteroaryl group; R7 is an optionally substituted aryl or heteroaryl group. Process for the preparation thereof and therapeutic use thereof.

  本发明涉及具有公式(I)的化合物： 其中R6是—CONH2或—C(Rα)(Rβ)(OH)基团；R是取代的苯基或杂芳基团；R7是可选地取代的芳基或杂芳基团。 其制备过程及其治疗用途。
• [EN] CYCLIC PEPTIDE ANTIBIOTICS<br/>[FR] ANTIBIOTIQUES PEPTIDIQUES CYCLIQUES
  申请人：HOFFMANN LA ROCHE

  公开号：WO2019052545A1

  公开（公告）日：2019-03-21

  Provided herein are antibacterial compounds, wherein the compounds in some embodiments have broad spectrum bioactivity. In various embodiments, the compounds act by inhibition of lipoprotein signal peptidase II (LspA), a key protein in bacteria. Pharmaceutical compositions and methods for treatment using the compounds described herein are also provided.

  本文提供了抗菌化合物，其中在某些实施例中，这些化合物具有广谱生物活性。在各种实施例中，这些化合物通过抑制脂蛋白信号肽酶II（LspA）来发挥作用，这是细菌中的关键蛋白质。还提供了使用所述化合物的药物组合物和治疗方法。
• Substituted Pyrimidines as Adenosine Receptor Antagonists
  申请人：Slee Deborah

  公开号：US20080275064A1

  公开（公告）日：2008-11-06

  Compounds of formula (I), including pharmaceutically acceptable salts, esters, solvates and stereoisomers thereof, R 1 , R 2 and R 3 are as defined herein. Pharmaceutical compositions containing a compound of structure (I), as well as methods relating to the use thereof as antagonists of adenosine receptors, in particular antagonists of the A2A adenosine receptor subtype.

  式(I)的化合物，包括药学上可接受的盐、酯、溶剂合物和立体异构体，其中R1、R2和R3的定义如本文所述。含有式(I)化合物的制药组合物，以及与其使用作为腺苷受体拮抗剂相关的方法，特别是A2A腺苷受体亚型的拮抗剂。