1-(4-(4-propylpiperazin-1-yl)phenyl)ethanone | 56915-76-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(4-(4-propylpiperazin-1-yl)phenyl)ethanone
• 英文别名: 1-[4-(4-propyl-piperazin-1-yl)-phenyl]-ethanone；p-(4-propyl-1-piperazinyl)acetophenone；p-<4-Propyl-1-piperazinyl>-acetophenon；p-(4-Propyl-1-piperazinyl)acetophenon；1-[4-(4-propylpiperazin-1-yl)phenyl]ethanone
• CAS: 56915-76-5
• 化学式: C₁₅H₂₂N₂O
• mdl: MFCD11053289
• 分子量: 246.352
• InChiKey: PWDRANFZMOMMEJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.533
• 拓扑面积：
  23.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-((1-(2-(2,4-difluorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl)-1H-1,2,3-triazol-4-yl)methoxy)benzaldehyde 、 1-(4-(4-propylpiperazin-1-yl)phenyl)ethanone 在 sodium hydroxide 作用下， 以 甲醇 、 水 为溶剂， 反应 72.0h， 以63.69%的产率得到(E)-3-(4-((1-(2-(2,4-difluorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl)-1H-1,2,3-triazol-4-yl)methoxy)phenyl)-1-(4-(4-propylpiperazin-1-yl)phenyl)prop-2-en-1-one
  参考文献：
  名称：

  [EN] 1-SUBSTITUTED, 4-(SUBSTITUTED PHENOXYMETHYL)-1,2,3-TRIAZOLE COMPOUNDS WITH ANTIFUNGAL PROPERTIES AND METHODS FOR PREPARATION THEREOF
  [FR] COMPOSÉS 1-SUBSTITUÉS DE 4-(PHÉNOXYMÉTHYLE SUBSTITUÉ)-1,2,3-TRIAZOLE PRÉSENTANT DES PROPRIÉTÉS ANTIFONGIQUES, ET LEURS PROCÉDÉS DE PRÉPARATION

  摘要：

  公开号：

  WO2014132267A8
• 作为产物：
  描述：

  4-氟苯乙酮 在 四丁基溴化铵 、 potassium carbonate 、 三乙胺 作用下， 以 二甲基亚砜 、 乙腈 为溶剂， 反应 33.0h， 生成 1-(4-(4-propylpiperazin-1-yl)phenyl)ethanone
  参考文献：
  名称：

  [EN] 1-SUBSTITUTED, 4-(SUBSTITUTED PHENOXYMETHYL)-1,2,3-TRIAZOLE COMPOUNDS WITH ANTIFUNGAL PROPERTIES AND METHODS FOR PREPARATION THEREOF
  [FR] COMPOSÉS 1-SUBSTITUÉS DE 4-(PHÉNOXYMÉTHYLE SUBSTITUÉ)-1,2,3-TRIAZOLE PRÉSENTANT DES PROPRIÉTÉS ANTIFONGIQUES, ET LEURS PROCÉDÉS DE PRÉPARATION

  摘要：

  公开号：

  WO2014132267A8
• 作为试剂：
  描述：

  4-氟苯乙酮 、 1-丙基哌嗪 、 potassium carbonate 、 在 1-(4-(4-propylpiperazin-1-yl)phenyl)ethanone 、 水 、 正己烷 作用下， 以 二甲基亚砜 为溶剂， 反应 4.5h， 生成 1-(4-(4-propylpiperazin-1-yl)phenyl)ethanone
  参考文献：
  名称：

  Substituted-1,2-dihydro-2-oxonicotinyl-cephalosporins

  摘要：

  本发明提供了新型有机酰胺化合物，其为N-[6-[(取代氨基)苯基]1,2-二氢-2-氧基烟酰基]青霉素和头孢菌素类型化合物，具有广谱抗菌作用，其方法为(a)将适当的青霉素或头孢菌素的游离氨基酸或其酸盐或硅烷衍生物与相应的N-6-[(取代氨基)苯基]-1,2-二氢-2-氧基烟酸的反应性衍生物反应，或者(b)将游离氨基酸6-氨基青霉烷酸、7-氨基头孢烷酸、7-氨基-3-甲基头孢-3-乙烯-4-羧酸或相关化合物或其酸盐或硅烷衍生物与相应的D-N-[6-[(取代氨基)苯基]-1,2-二氢-2-氧基烟酰基]-2-取代甘氨酸的反应性衍生物反应。本发明还公开了含有所述化合物的制药组合物以及使用所述组合物治疗感染的方法。

  公开号：

  US04053470A1

文献信息

• Novel antibacterial amide compounds and process means for producing the
  申请人：Parke, Davis & Company

  公开号：US03954734A1

  公开（公告）日：1976-05-04

  Novel organic amide compounds which are N-[6-[(substituted amino)phenyl]-1,2-dihydro-2-oxonicotinyl]penicillin and cephalosporin type compounds having broad spectrum antibacterial utility are provided by (a) reacting the free amino acid of the appropriate penicillin or cephalosporin or the acid salt or silylated derivative thereof with a reactive derivative of the corresponding N-6-[(substituted amino)phenyl]-1,2-dihydro-2-oxonicotinic acid or (b) reacting the free amino acid 6-amino-penicillanic acid, 7-aminocephalosporanic acid, 7-amino-3-methylceph-3-em-4-carboxylic acid or a related compound or the acid salt or silylated derivative thereof with a reactive derivative of the corresponding D-N-[6-[(substituted amino)phenyl]-1,2-dihydro-2-oxonicotinyl]-2-substituted glycine. Pharmaceutical compositions containing said compounds and methods for treating infections using said compositions are also disclosed.

  提供了一种新型的有机酰胺化合物，即N-[6-[(取代氨基)苯基]-1,2-二氢-2-氧基烟酰基]青霉素和头孢菌素类化合物，具有广谱抗菌作用，方法包括(a)将适当青霉素或头孢菌素的游离氨基酸或其酸盐或硅烷衍生物与相应的N-6-[(取代氨基)苯基]-1,2-二氢-2-氧基烟酸的反应衍生物反应，或(b)将游离氨基酸6-氨基青霉素酸、7-氨基头孢菌素酸、7-氨基-3-甲基头孢-3-酮-4-羧酸或相关化合物或其酸盐或硅烷衍生物与相应的D-N-[6-[(取代氨基)苯基]-1,2-二氢-2-氧基烟酰基]-2-取代甘氨酸的反应衍生物反应。还公开了含有上述化合物的药物组合物以及使用这些组合物治疗感染的方法。
• Trialkylsilyl esters of 6(substituted
  申请人：Parke, Davis & Company

  公开号：US03951982A1

  公开（公告）日：1976-04-20

  Trialkylsilyl esters of 6-(substituted amino)phenyl-1,2-dihydro-2-oxonicotinic acid and acid addition salts thereof are disclosed. The compounds are useful intermediates in the preparation of pharmacological agents, especially antimicrobials of the penicillin or cephalosporin type. The compounds can be produced by reacting a 6-(substituted amino)phenyl-1,2-dihydro-2-oxonicotinic acid with a silylating agent and are converted to the useful corresponding acid chloride by reaction with thionyl chloride.

  披露了6-(取代氨基)苯基-1,2-二氢-2-氧基烟酸的三烷基硅酯及其酸盐。这些化合物是制备药理学药剂，特别是青霉素或头孢菌素类抗菌剂的有用中间体。这些化合物可以通过将6-(取代氨基)苯基-1,2-二氢-2-氧基烟酸与硅化剂反应而制得，并通过与亚砜氯反应转化为有用的相应酸氯化物。
• 1-SUBSTITUTED, 4-(SUBSTITUTED PHENOXYMETHYL)-1,2,3-TRIAZOLE COMPOUNDS WITH ANTIFUNGAL PROPERTIES AND METHODS FOR PREPARATION THEREOF
  申请人：FDC LIMITED

  公开号：US20160009692A1

  公开（公告）日：2016-01-14

  Disclosed herein are novel antifungal compounds of Formula 1, containing 1-substituted, 4-(substituted phenoxy-methyl)-1,2,3-triazole moieties coupled to a core having triazole ring, (un)substituted phenyl ring and tertiary alcoholic functionality, and pharmaceutically acceptable salts thereof; methods for preparing these compounds; and pharmaceutical preparations containing these novel compounds for prevention and treatment of fungal infections.

  本文披露了一种新型的抗真菌化合物，式子为1，包含1-取代，4-(取代苯氧甲基)-1,2,3-三唑基团偶联到具有三唑环、(未)取代苯环和三级醇功能的核心上，以及其药学上可接受的盐；制备这些化合物的方法；和含有这些新型化合物的药物制剂，用于预防和治疗真菌感染。
• Improvement of Pharmacological Properties of Irreversible Thyroid Receptor Coactivator Binding Inhibitors
  作者：Jong Yeon Hwang、Leggy A. Arnold、Fangyi Zhu、Aaron Kosinski、Thomas J. Mangano、Vincent Setola、Bryan L. Roth、R. Kiplin Guy

  DOI：10.1021/jm9002704

  日期：2009.7.9

  We have previously reported the discover), and preliminary structure activity relationships of a series of beta-aminoketones that disrupt the binding of coactivators to TR. However, the most active compounds had moderate inhibitory potency and relatively high cytotoxicity, resulting in narrow therapeutic index. Additionally, preliminary evaluation of in vivo toxicology revealed a significant dose related cardiotoxicity. Here we describe the improvement of pharmacological properties of thyroid hormone receptor coactivator binding inhibitors. A comprehensive Survey of the effects of substitutents in key areas of the molecule was carried out based on mechanistic insight from the earlier report. This study revealed that both electron withdrawing and hydrophobic substituents on the aromatic ring led to higher potency. On the other hand, moving from an alkyl to a sulfonyl alkyl side chain led to reduced cytotoxicity, Finally, utilization of airline moieties having low pK(a)'s resulted in lowered ion channel activity without any loss of pharmacological activity.
• US3951982A
  申请人：——

  公开号：US3951982A

  公开（公告）日：1976-04-20