N-(2,2-dimethoxyethyl)propionamide | 1343468-41-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N-(2,2-dimethoxyethyl)propionamide
• 英文别名: N-(2,2-dimethoxyethyl)propanamide
• CAS: 1343468-41-6
• 化学式: C₇H₁₅NO₃
• 分子量: 161.201
• InChiKey: NBTACRVWMMDRAX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  11
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  47.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-(2,2-dimethoxyethyl)propionamide 在 三乙基硅烷 、 三溴化硼 、 potassium carbonate 、 三氟乙酸 、 sodium iodide 作用下， 以 二氯甲烷 、 丙酮 为溶剂， 反应 80.0h， 生成 N-{2-[(3-(6-aminohexyloxy)phenyl)(methyl)amino]ethyl}propionamide
  参考文献：
  名称：

  Identification of Bivalent Ligands with Melatonin Receptor Agonist and Fatty Acid Amide Hydrolase (FAAH) Inhibitory Activity That Exhibit Ocular Hypotensive Effect in the Rabbit

  摘要：

  Activation of melatonin receptors and inhibition of fatty acid amide hydrolase (FAAH) have both shown potential benefits for the treatment of glaucoma. To exploit the combination of these biological activities in single therapeutic agents, we designed dual-acting compounds sharing the pharmacophore elements required for the two targets, in search for balanced potencies as MT1/MT2 agonists and FAAH inhibitors. In particular, the N-anilinoethylamide scaffold, previously developed for melatonergic ligands, was decorated at meta position with a polymethylene linker bound to an O-arylcarbamate group, substituted according to known structure-activity relationships for FAAH inhibition. For the most active series, the N-anilinoethylamide portion was also replaced with the indole scaffold of melatonin. O-Biphenyl-3-ylcarbamate characterized by remarkable and balanced activity at both targets, in the nanomolar range for compound 29. Topical administration reduced elevated intraocular pressure in rabbits, with a longer action and improved efficacy compared to the reference compounds melatonin and URB597.

  DOI：

  10.1021/acs.jmedchem.8b00893
• 作为产物：
  描述：

  1-(3-氯苯基)-2-羟基-2-[(8-羟基喹啉-7-基)氨基]乙酮 、 丙酰氯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 以100%的产率得到N-(2,2-dimethoxyethyl)propionamide
  参考文献：
  名称：

  [EN] CARBONYL CONTAINING COMPOUNDS FOR CONTROLLING AND REPELLING CIMICIDAE POPULATIONS
  [FR] COMPOSÉS CONTENANT UN CARBONYLE POUR MAÎTRISER ET REPOUSSER DES POPULATIONS DE CIMICIDAE

  摘要：

  提供用于控制和/或驱避臭虫的组合物和方法。这些组合物包括具有驱避臭虫活性的一个或多个化合物。这些化合物可能是自然发生的信息素或自然发生的信息素的结构或功能类似物，例如通式(I)的化合物。

  公开号：

  WO2012129702A1

文献信息

• [EN] 5-(PYRIDIN-3-YL)OXAZOLE ALLOSTERIC MODULATORS OF M4 MUSCARINIC ACETYLCHOLINE RECEPTOR<br/>[FR] MODULATEURS ALLOSTÉRIQUES DE 5-(PYRIDIN-3-YL)OXAZOLE DU RÉCEPTEUR MUSCARINIQUE M4 DE L'ACÉTYLCHOLINE
  申请人：MERCK SHARP & DOHME

  公开号：WO2019000238A1

  公开（公告）日：2019-01-03

  Provided are 5-(pyridin-3-yl) oxazole compounds, the compositions comprising these compounds and the uses of these compositions in the potential prevention or treatment of such diseases in which M4 muscarinic acetylcholine receptors are involved.

  提供了含有5-(吡啶-3-基)噁唑化合物的组合物，这些化合物的组合物以及这些组合物在潜在预防或治疗M4肌胆碱受体参与的疾病中的用途。
• Isatoic anhydride derivatives and applications thereof
  申请人：The University of North Carolina at Charlotte

  公开号：US10179175B2

  公开（公告）日：2019-01-15

  Isatoic anhydride derivatives having an N-substituent which includes a quaternary ammonium group are useful for labeling and/or functionalizing a target material and/or for coupling materials together. The isatoic anhydride derivatives of the present disclosure can be advantageously water soluble, easily prepared and purified. Isatoic anhydride derivatives useful in the present disclosure preferably have at least one chemically reactive group or at least one binding group or at least one detectable label. Anthranilate derivatives made from the isatoic anhydrides derivatives or otherwise and kits including the isatoic anhydride derivatives are also disclosed.

  具有包括季铵基团的 N 取代基的异酸酐衍生物可用于标记和/或官能化目标材料和/或将材料耦合在一起。本公开的异酸酐衍生物可溶于水，易于制备和纯化。本公开中有用的异酸酐衍生物最好具有至少一个化学反应基团或至少一个结合基团或至少一个可检测标签。此外，还公开了由异酸酐衍生物或其他衍生物制成的蒽酸衍生物以及包括异酸酐衍生物的试剂盒。
• Carbonyl containing compounds for controlling and repelling Cimicidae populations
  申请人：Gilbert Michael

  公开号：US11116212B2

  公开（公告）日：2021-09-14

  Compositions and methods for controlling and/or repelling bedbugs are provided. The compositions comprise one or more compounds having bedbug repellant activity. Such compounds may be, for example, naturally occurring semiochemicals or structural or functional analogs of naturally occurring semiochemicals. Exemplary compounds are compounds of general formula (I).

  提供了控制和/或驱除臭虫的组合物和方法。这些组合物包括一种或多种具有驱除臭虫活性的化合物。这些化合物可以是天然存在的半化学物质或天然存在的半化学物质的结构或功能类似物。示例化合物为通式 (I) 的化合物。
• ISATOIC ANHYDRIDE DERIVATIVES AND APPLICATIONS THEREOF
  申请人：The University of North Carolina at Charlotte

  公开号：US20170035893A1

  公开（公告）日：2017-02-09

  Isatoic anhydride derivatives having an N-substituent which includes a quaternary ammonium group are useful for labeling and/or functionalizing a target material and/or for coupling materials together. The isatoic anhydride derivatives of the present disclosure can be advantageously water soluble, easily prepared and purified. Isatoic anhydride derivatives useful in the present disclosure preferably have at least one chemically reactive group or at least one binding group or at least one detectable label. Anthranilate derivatives made from the isatoic anhydrides derivatives or otherwise and kits including the isatoic anhydride derivatives are also disclosed.
• US9867883B2
  申请人：——

  公开号：US9867883B2

  公开（公告）日：2018-01-16