5-(4-乙基苯基)-2-糠醛 | 765937-65-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 5-(4-乙基苯基)-2-糠醛
• 英文名称: 5-(4-ethylphenyl)furan-2-carbaldehyde
• 英文别名: 5-(4-ethylphenyl)-2-furaldehyde
• CAS: 765937-65-3
• 化学式: C₁₃H₁₂O₂
• mdl: MFCD07380716
• 分子量: 200.237
• InChiKey: ZQSJYWFJKGXZIL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.153
• 拓扑面积：
  30.2
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5-(4-乙基苯基)-2-糠醛 在 哌啶 、 吡啶 、 氯化亚砜 作用下， 以 甲苯 为溶剂， 反应 6.0h， 生成 (E)-N-[3-benzoyl-4-[[2-(4-methylphenyl)acetyl]amino]phenyl]-3-[5-(4-ethylphenyl)furan-2-yl]prop-2-enamide
  参考文献：
  名称：

  非硫醇法呢基转移酶抑制剂：N-（4-甲苯基乙酰氨基-3-苯甲酰基苯基）-3-芳基呋喃基丙烯酸酰胺。

  摘要：

  我们已经设计了芳基呋喃基丙烯酸取代的二苯甲酮作为非硫醇法呢基转移酶抑制剂，利用了法呢基转移酶的新型芳基结合位点。这些化合物在低纳摩尔范围内显示活性。

  DOI：

  10.1016/j.bmc.2004.07.010
• 作为产物：
  描述：

  5-溴-2-呋喃甲醛 、 4-乙基苯硼酸 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 四(三苯基膦)钯 potassium carbonate 作用下， 以 乙醇 、 水 、 甲苯 为溶剂， 反应 5.0h， 以41%的产率得到5-(4-乙基苯基)-2-糠醛
  参考文献：
  名称：

  非硫醇法呢基转移酶抑制剂：N-（4-甲苯基乙酰氨基-3-苯甲酰基苯基）-3-芳基呋喃基丙烯酸酰胺。

  摘要：

  我们已经设计了芳基呋喃基丙烯酸取代的二苯甲酮作为非硫醇法呢基转移酶抑制剂，利用了法呢基转移酶的新型芳基结合位点。这些化合物在低纳摩尔范围内显示活性。

  DOI：

  10.1016/j.bmc.2004.07.010

文献信息

• CYCLIC CARBOXYLIC ACID RHODANINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF TUBERCULOSIS
  申请人：Singh Jasbir

  公开号：US20100210577A1

  公开（公告）日：2010-08-19

  Disclosed are methods for the prevention or treatment of tuberculosis in a subject infected with Mycobacterium tuberculosis by administering rhodanine derivatives of formula (I), as well as some novel such compounds. Other embodiments are also disclosed.

  公开了用于预防或治疗感染了结核分枝杆菌的受试者的结核病的方法，通过给予公式(I)的罗丹宁衍生物，以及一些新颖的此类化合物。还公开了其他实施例。
• [EN] IMIDAZOLE-BASED ANTIMICROBIAL AGENTS<br/>[FR] AGENTS ANTIMICROBIENS À BASE D'IMIDAZOLE
  申请人：PROCOMCURE BIOTECH GMBH

  公开号：WO2016087618A1

  公开（公告）日：2016-06-09

  The present invention relates to novel therapeutic agents suitable for use in the treatment of mammalian disease and in particular to novel therapeutic agents suitable for use in the treatment of microbial infection in mammals. The present invention further relates to the use of pharmaceutical compositions comprising said agents in the treatment of medical conditions in mammals, in particular in the treatment of microbial infection. The agents and pharmaceutical compositions of the invention are of particular relevance in the treatment of diseases associated with antibiotic-resistant microbes.

  本发明涉及新型治疗剂，适用于治疗哺乳动物疾病，特别是适用于治疗哺乳动物微生物感染的新型治疗剂。本发明还涉及包含上述剂的药物组合物在治疗哺乳动物的医疗状况中的使用，特别是在治疗微生物感染中的使用。本发明的剂和药物组合物在治疗与抗生素耐药微生物相关的疾病方面具有特殊意义。
• 1,5-Dideoxy-1,5-imino-D-glucitol Compounds
  申请人：Lin Chun-Hung

  公开号：US20100113519A1

  公开（公告）日：2010-05-06

  1,5-Dideoxy-1,5-imino-D-glucitol compounds as shown in the specification. Also disclosed is a method of treating a hexosaminidase-associated disease.

  规范中显示的1,5-二去氧-1,5-亚胺-D-葡萄糖醇化合物。还公开了一种治疗己糖氨基酸酶相关疾病的方法。
• Imidazole-based antimicrobial agents
  申请人：Procomcure Biotech GmbH

  公开号：US10322110B2

  公开（公告）日：2019-06-18

  The present invention relates to therapeutic agents suitable for use in the treatment of microbial infection in mammals. The present invention further relates to the use of pharmaceutical compositions comprising said agents in the treatment of medical conditions in mammals, in particular in the treatment of microbial infection. The agents and pharmaceutical compositions of the invention are of particular relevance in the treatment of diseases associated with antibiotic-resistant microbes. In one particular embodiment, the pharmaceutical composition can have the structural moiety of formula (I) or a pharmaceutically-acceptable salt of said compound: wherein group A is selected from the formulae Group B is aryl, R1 is an optionally substituted aryl ring, an optionally substituted benzyl ring, CH3, or C2 to 6 alkyl, and R2 is hydrogen, an alkyl group, a halogen, or —(CH2)nN(CH3)2 where n is an integer from 1 to 3.

  本发明涉及适用于治疗哺乳动物微生物感染的治疗剂。本发明还涉及包含上述制剂的药物组合物在治疗哺乳动物的病症，特别是治疗微生物感染中的用途。本发明的制剂和药物组合物在治疗与抗生素耐药微生物相关的疾病方面具有特殊意义。在一个特定的实施方案中，药物组合物可以具有式（I）的结构分子或所述化合物的药学上可接受的盐： 其中 A 组选自式 B 组为芳基，R1 为任选取代的芳基环、任选取代的苄基环、CH3 或 C2 至 6 烷基，R2 为氢、烷基、卤素或-(CH2)nN(CH3)2，其中 n 为 1 至 3 的整数。
• Rational design of apoptosis signal-regulating kinase 1 inhibitors: Discovering novel structural scaffold
  作者：Galyna P. Volynets、Volodymyr G. Bdzhola、Andriy G. Golub、Anatoliy R. Synyugin、Maksym A. Chekanov、Oleksandr P. Kukharenko、Sergiy M. Yarmoluk

  DOI：10.1016/j.ejmech.2012.09.022

  日期：2013.3

  Increased activity of apoptosis signal-regulating kinase 1 (ASK1) is associated with a number of human disorders and the inhibitors of ASK1 may become important compounds for pharmaceutical application. Here we report novel ASK1 inhibitor scaffold, namely 5-(5-Phenyl-furan-2-ylmethylene)-2-thioxo-thiazolidin-4-one, that has been identified using virtual screening and biochemical tests. A series of derivatives has been synthesized and evaluated in vitro towards human protein kinase ASK1. It was revealed that the most active compounds 4-((5Z)-5-[5-(4-bromophenyl)-2-furyl]methylene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl)butanoic acid and 6-((5Z)-5-[5-(4-bromophenyl)-2-furyl]methylene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl)hexanoic acid inhibit ASK1 with IC50 of 0.2 mu M. Structure activity relationships of 33 derivatives of 5-(5-Phenyl-furan-2-ylmethylene)-2-thioxo-thiazolidin-4-one have been studied and binding mode of this chemical class has been predicted. (C) 2012 Elsevier Masson SAS. All rights reserved.