1-苄基-3-乙基-4-哌啶酮 | 40748-71-8

• 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-苄基-3-乙基-4-哌啶酮
• 英文名称: 1-benzyl-3-ethyl-4-piperidinone
• 英文别名: 1-benzyl-3-ethylpiperidin-4-one；N-benzyl-3-ethyl-4-piperidinone；1-benzyl-3-ethyl-4-piperidone；1-benzyl-3-ethyl-piperidin-4-one；1-benzyl-3-ethyl-4-oxopiperidine；N-Benzyl-3-ethyl-4-piperidon
• CAS: 40748-71-8
• 化学式: C₁₄H₁₉NO
• mdl: MFCD07394314
• 分子量: 217.311
• InChiKey: JUSKDLRMHAPHCU-UHFFFAOYSA-N

物化性质

• 沸点：
  330.6±22.0 °C(Predicted)
• 密度：
  1.035±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-苄基-3-乙基-4-哌啶酮 在 palladium on activated charcoal sodium hydroxide 、 甲酸 、 sodium hydride 作用下， 以 甲苯 为溶剂， 反应 1.0h， 生成 3-ethyl-1,2,5,6-tetrahydro-4-pyridineacetic acid ethyl ester
  参考文献：
  名称：

  New N-(benzhydryloxyalkyl)-4-(carboxy/carbamoylmethyl) piperidine derivatives with antidepressant activity

  摘要：

  Several benzhydryloxylalkylpiperidine derivatives were prepared with the aim of obtaining new antidepressant compounds. The influence of the length of the aliphatic chain and of aromatic and piperidine ring substitutions was studied. The pharmacological activity of compounds was investigated in vivo by means of a screening comprising four pharmacological tests: antagonism of reserpine and apomorphine hypothermia; increase of yohimbine induced mortality; and antagonism of immobility in tail suspension test. An in-depth pharmacological study was performed with the more active compounds and a binding study to serotonin (5-HT), norepinephrine (NE) and dopamine (DA) reuptake sites was performed for the preferred compounds. The most active compounds [+], [-]-cis-31, 32 and 46 exhibited an interesting psychopharmacological profile after intraperitoneal administration. This profile was confirmed by the oral route for 31 and 46. In vitro, these compounds showed a non-selective inhibition of DA, NE and 5-HT uptake.

  DOI：

  10.1016/s0223-5234(97)83972-4
• 作为产物：
  描述：

  1-苄基-4-哌啶酮-3-羧酸乙酯 在 盐酸 、 potassium tert-butylate 作用下， 以 四氢呋喃 、 水 、 乙腈 为溶剂， 反应 16.0h， 生成 1-苄基-3-乙基-4-哌啶酮
  参考文献：
  名称：

  [EN] PYRROLIDINE GPR40 MODULATORS
  [FR] MODULATEURS PYRROLIDINES DE GPR40

  摘要：

  本发明提供了式(I)的化合物：或其立体异构体，或其药物可接受的盐，其中所有变量均如本文所述定义。这些化合物是GPR40 G蛋白偶联受体的调节剂，可用作药物。

  公开号：

  WO2014078609A1

文献信息

• 3,4′-Linked bis(piperidines) related to the haliclonacyclamine class of marine alkaloids: synthesis using crossed-aldol chemistry and preliminary biological evaluations
  作者：Martin G. Banwell、Mark J. Coster、Natasha L. Hungerford、Mary J. Garson、Stephen Su、Andrew C. Kotze、Murray H. G. Munro

  DOI：10.1039/c1ob06418e

  日期：——

  Compounds 2–5, incorporating various elements of the 3,4′-bis(piperidine) core associated with the sponge-derived alkaloid haliclonacyclamine A (HA, 1), have been prepared through, inter alia, aldol-type reactions of N-substituted piperidin-4-ones and certain derivatives. Screening of these compounds in various assays, including an ecological one, reveals that compound 5 exhibits allelochemical properties

  化合物2-5，结合有3,4'-二（哌啶）的核心与海绵衍生的生物碱haliclonacyclamine A（HA，相关联的各种元件1），已经制备通过，除其他外，醇醛型反应ñ -取代的哌啶-4-酮和某些衍生物。在各种测定中（包括生态测定）对这些化合物进行的筛选显示，化合物5的化感化学性质与HA本身相关。
• CHEMOKINE RECEPTOR MODULATORS AND USES THEREOF
  申请人：FLX Bio, Inc.

  公开号：US20180072743A1

  公开（公告）日：2018-03-15

  Disclosed herein, inter alia, are compounds and methods of use thereof for the modulation of chemokine receptor activity.

  披露的内容包括但不限于，用于调节趋化因子受体活性的化合物及其使用方法。
• [EN] CCR8 INHIBITORS<br/>[FR] INHIBITEURS DE CCR8
  申请人：MILLENNIUM PHARM INC

  公开号：WO2004058736A1

  公开（公告）日：2004-07-15

  Disclosed is an inhibitor of CCR8 that is represented by Structural Formula (I). Also disclosed are pharmaceutical compositions comprising a pharmaceutically acceptable carrier or diluent and a CCR8 inhibitor represented by Structural Formula (I). Also disclosed is a method of treating inflammatory disorders in a subject by administering a CCR8 inhibitor to the subject.

  揭示了一种由结构式（I）表示的CCR8抑制剂。还揭示了包括药用载体或稀释剂和由结构式（I）表示的CCR8抑制剂的药物组合物。还揭示了通过向受试者施用CCR8抑制剂来治疗炎症性疾病的方法。
• [EN] CCR8 INHIBITORS<br/>[FR] INHIBITEURS DU CCR8
  申请人：MILLENNIUM PHARM INC

  公开号：WO2004058709A1

  公开（公告）日：2004-07-15

  Disclosed are CCR8 inhibitors represented by Structural Formulas (I). The variables in Structural Formula (I) are described herein. Also disclosed are methods of treating a subject with a CCR8 mediated condition, especially asthma, by administering one of the disclosed CCR8 inhibitors to the subject.

  揭示了由结构式（I）代表的CCR8抑制剂。结构式（I）中的变量在此处描述。还揭示了通过向受试者施用所披露的CCR8抑制剂之一来治疗CCR8介导的疾病，特别是哮喘的方法。
• [EN] DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS<br/>[FR] DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE ET COMPOSÉS APPARENTÉS ET LEUR UTILISATION DANS LE TRAITEMENT D'ÉTATS MÉDICAUX
  申请人：LYCERA CORP

  公开号：WO2019200120A1

  公开（公告）日：2019-10-17

  The invention provides dihydroisoquinoline-2(1H)-carboxamide and related compounds, pharmaceutical compositions, and their use in the treatment of medical conditions, such as cancer, and in inhibiting HPK1 activity.

  这项发明提供了二氢异喹啉-2(1H)-甲酰胺及相关化合物、药物组合物，以及它们在治疗医疗状况（如癌症）和抑制HPK1活性中的用途。