1-乙酰基-4-哌啶甲醛 | 155826-26-9

• 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: 1-乙酰基-4-哌啶甲醛
• 中文别名: 1-乙酰基-哌啶-4-甲醛
• 英文名称: 1-acetylpiperidine-4-carbaldehyde
• CAS: 155826-26-9
• 化学式: C₈H₁₃NO₂
• mdl: MFCD11582881
• 分子量: 155.197
• InChiKey: UQEFRJJPHHMUQP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  37.4
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2933399090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  -20°C，惰性气体

反应信息

• 作为反应物：
  描述：

  1-乙酰基-4-哌啶甲醛 在 三乙胺 作用下， 以 四氢呋喃 、 苯 为溶剂， 生成
  参考文献：
  名称：

  Novel Spiroketal Pyrrolidine GSK2336805 Potently Inhibits Key Hepatitis C Virus Genotype 1b Mutants: From Lead to Clinical Compound

  摘要：

  [GRAPHICS]Rapid clinical progress of hepatitis C virus (HCV) replication inhibitors, including these selecting for resistance in the NS5A region (NS5A inhibitors), promises to revolutionize HCV treatment. Herein, we describe our explorations of diverse spiropyrrolidine motifs in novel NS5A inhibitors and a proposed interaction model. We discovered that the 1,4-dioxa-7-azaspiro[4.4]nonane motif in inhibitor 41H (GSIC2236805) supported high potency against genotypes la and lb as well as in genotype 1b L31V and Y93H mutants. Consistent with this, 41H potently suppressed HCV RNA in the 20-day RNA reduction assay. Pharmacokinetic and safety data supported further progression of 41H to the clinic.

  DOI：

  10.1021/jm4013104
• 作为产物：
  描述：

  1-乙酰基-4-哌啶甲醇 在 戴斯-马丁氧化剂 作用下， 以 氯仿 为溶剂， 反应 2.0h， 以40%的产率得到1-乙酰基-4-哌啶甲醛
  参考文献：
  名称：

  [EN] PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN
  [FR] DÉRIVÉS DE PYRAZOLO[1,5-A]PYRIMIDINE AYANT UNE ACTIVITÉ MULTIMODALE CONTRE LA DOULEUR

  摘要：

  本发明涉及一种对电压门控钙通道的α2δ亚基和sigma-1（σ1）受体具有双重药理活性的吡唑吡咪啉衍生物，涉及制备这类化合物的方法，包括它们的药物组合物，以及它们在治疗中的应用，特别是用于治疗疼痛。

  公开号：

  WO2021239558A1

文献信息

• ORGANIC COMPOUNDS
  申请人：Breitenstein Werner

  公开号：US20090233920A1

  公开（公告）日：2009-09-17

  The invention relates to 3,5-substituted piperidine compounds, these compounds for use in the diagnostic and therapeutic treatment of a warm-blooded animal, especially for the treatment of a disease (=disorder) that depends on activity of renin; the use of a compound of that class for the preparation of a pharmaceutical formulation for the treatment of a disease that depends on activity of renin; the use of a compound of that class in the treatment of a disease that depends on activity of renin; pharmaceutical formulations comprising a 3,5-substituted piperidine compound, and/or a method of treatment comprising administering a 3,5-substituted piperidine compound, a method for the manufacture of a 3,5-substituted piperidine compound, and novel intermediates and partial steps for its synthesis. The preferred compounds (which can also be present as salts) have the formula I wherein R1, R2, T, R3 and R4 are as defined in the specification.

  该发明涉及3,5-取代哌啶化合物，这些化合物用于诊断和治疗温血动物，特别是用于治疗依赖肾素活性的疾病（=紊乱）；该类化合物用于制备用于治疗依赖肾素活性疾病的药物配方；该类化合物用于治疗依赖肾素活性的疾病；包括3,5-取代哌啶化合物的药物配方，和/或包括给予3,5-取代哌啶化合物的治疗方法，一种用于制造3,5-取代哌啶化合物的方法，以及其合成的新中间体和部分步骤。优选的化合物（也可以存在为盐）具有式I的结构，其中R1、R2、T、R3和R4如规范中定义。
• Reaction Mechanism in Ionic Liquids: Kinetics and Mechanism of the Aminolysis of 4-Nitrophenyl Acetate
  作者：Paulina Pavez、Daniela Millán、Mabel Rojas、Javiera I. Morales、José G. Santos

  DOI：10.1002/kin.20994

  日期：2016.6

  alicyclic amines at different temperatures in acetonitrile and several ionic liquids (ILs). From this study, we have described that the reactions in MeCN and in the studied ILs occur by a concerted mechanism and that the activation parameters are sensitive to the structural properties of the ILs. The pKa values of all amines used in both MeCN and ILs were determined.

  在这项工作中，我们报告了标题化合物与仲脂环族胺在不同温度下在乙腈和几种离子液体（ILs）中反应的动力学研究。从这项研究中，我们已经描述了MeCN和所研究的ILs中的反应是通过协同机制发生的，并且激活参数对ILs的结构性质敏感。确定了MeCN和IL中使用的所有胺的pKa值。
• [EN] QUINOLINE DERIVATIVES AND USES IN MANAGING CANCER<br/>[FR] DÉRIVÉS DE QUINOLÉINE ET LEURS UTILISATIONS DANS LA GESTION DU CANCER
  申请人：UNIV EMORY

  公开号：WO2021050721A1

  公开（公告）日：2021-03-18

  Provided herein are compounds, pharmaceutical compositions including such compounds, and methods of using such compounds to treat diseases or disorders associated with MDM2 activity.

  本文提供了化合物、包括这些化合物的药物组合物，以及使用这些化合物治疗与MDM2活性相关的疾病或紊乱的方法。
• 2-aminobenzoxazole derivatives and combinatorial libraries thereof
  申请人：——

  公开号：US20020161028A1

  公开（公告）日：2002-10-31

  The present invention relates to novel 2-aminobenzoxazole derivative compounds of the following formula: 1 wherein R 1 to R 4 and Z have the meanings provided herein. The invention further relates to combinatorial libraries containing two or more such compounds, as well as methods of preparing 2-aminobenzoxazole derivative compounds.

  本发明涉及以下式子的新型2-氨基苯并噁唑衍生物化合物：其中R1至R4和Z具有本文所提供的含义。本发明还涉及包含两种或更多这类化合物的组合式库，以及制备2-氨基苯并噁唑衍生物化合物的方法。
• Bicycloheteroaryl compounds as P2X7 modulators and uses thereof
  申请人：Kelly G. Michael

  公开号：US20060217448A1

  公开（公告）日：2006-09-28

  Bicycloheteroaryl compounds are disclosed that have a formula represented by the following: The compounds may be prepared as pharmaceutical compositions, and may be used for the prevention and treatment of a variety of conditions in mammals including humans, including by way of non-limiting example, pain, inflammation, traumatic injury, and others.

  公开了具有以下公式代表的Bicycloheteroaryl化合物：这些化合物可以制备为药物组合物，并可用于预防和治疗包括人类在内的哺乳动物的各种疾病，例如疼痛、炎症、创伤性损伤等。