3-(环己氧基)丙胺 | 16728-63-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 3-(环己氧基)丙胺
• 中文别名: 3-环己氧基-1-丙胺
• 英文名称: 3-(cyclohexyloxy)propylamine
• 英文别名: 3-(Cyclohexyloxy)propan-1-amine；3-cyclohexyloxypropan-1-amine
• CAS: 16728-63-5
• 化学式: C₉H₁₉NO
• mdl: MFCD07339038
• 分子量: 157.256
• InChiKey: ZRXXYJYSVHQULF-UHFFFAOYSA-N

物化性质

• 沸点：
  72-74 °C(Press: 4.5 Torr)
• 密度：
  0.9281 g/cm3

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  11
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  35.2
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2922199090

反应信息

• 作为反应物：
  描述：

  3-(环己氧基)丙胺 在 N-甲基吗啉 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三氟乙酸 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 (2S)-2-amino-N-(3-cyclohexyloxypropyl)-3-hydroxypropanamide
  参考文献：
  名称：

  Development of Dual-Acting Agents for Thromboxane Receptor Antagonism and Thromboxane Synthase Inhibition. 3. Synthesis and Biological Activities of Oxazolecarboxamide-Substituted ω-Phenyl-ω-(3-pyridyl)alkenoic Acid Derivatives and Related Compounds

  摘要：

  A novel series of oxazolecarboxamide-substituted omega-phenyl-omega-(3-pyridyl)alkenoic acid derivatives was discovered as potent dual-acting agents to block the TXA(2) receptor and to inhibit the thromboxane synthase (TRA/TSI). Synthesis, structure-activity relationship (SAR), and in vitro and in vivo pharmacology of this series of compounds are described. Modification of the series revolved around the oxazole moiety to increase the hydrophilicity of the compounds and to correlate the biological activity with lipophilicity of the compounds. The most potent in the series was (E)-7-[4-[4-[[(4-cyclohexylbutyl)amino]carbonyl]-2-oxazolyl]phenyl]-7-(3-pyridyl)hept-6-enoic acid (14) with K-d = 9.9 +/- 0.4 nM for the thromboxane receptor antagonism and IC50 = 55.0 +/- 17.9 nM for thromboxane synthase inhibition. The compound 14 was a selective TRA/TSI which exhibited desirable characteristics for oral activity, "shunt" effect to elevate PGI(2) level, and absence of agonist activity.

  DOI：

  10.1021/jm980173n
• 作为产物：
  描述：

  3-(cyclohexyloxy)-1-propanol methanesulfonate (ester) 在 sodium azide 、 水 、 三苯基膦 作用下， 以 四氢呋喃 、 水 、 N,N-二甲基甲酰胺 为溶剂， 生成 3-(环己氧基)丙胺
  参考文献：
  名称：

  Development of Dual-Acting Agents for Thromboxane Receptor Antagonism and Thromboxane Synthase Inhibition. 3. Synthesis and Biological Activities of Oxazolecarboxamide-Substituted ω-Phenyl-ω-(3-pyridyl)alkenoic Acid Derivatives and Related Compounds

  摘要：

  A novel series of oxazolecarboxamide-substituted omega-phenyl-omega-(3-pyridyl)alkenoic acid derivatives was discovered as potent dual-acting agents to block the TXA(2) receptor and to inhibit the thromboxane synthase (TRA/TSI). Synthesis, structure-activity relationship (SAR), and in vitro and in vivo pharmacology of this series of compounds are described. Modification of the series revolved around the oxazole moiety to increase the hydrophilicity of the compounds and to correlate the biological activity with lipophilicity of the compounds. The most potent in the series was (E)-7-[4-[4-[[(4-cyclohexylbutyl)amino]carbonyl]-2-oxazolyl]phenyl]-7-(3-pyridyl)hept-6-enoic acid (14) with K-d = 9.9 +/- 0.4 nM for the thromboxane receptor antagonism and IC50 = 55.0 +/- 17.9 nM for thromboxane synthase inhibition. The compound 14 was a selective TRA/TSI which exhibited desirable characteristics for oral activity, "shunt" effect to elevate PGI(2) level, and absence of agonist activity.

  DOI：

  10.1021/jm980173n

文献信息

• [EN] INHIBITORS OF BACTERIAL GLYCOSYL TRANSFERASES<br/>[FR] INHIBITEURS DE GLYCOSYL TRANSFÉRASES BACTÉRIENNES
  申请人：HARVARD COLLEGE

  公开号：WO2016191658A1

  公开（公告）日：2016-12-01

  Described herein are compounds of Formula (I'), Formula (IA), Formulae (I)-(VII), pharmaceutically acceptable salts, solvates, hydrates, polymorphs, co-crystals, tautomers, stereoisomers, isotopically labeled derivatives, and prodrug sthereof. The invention also provides pharmaceutical compositions of the compounds for human and veterinary use. Compounds of the present invention are useful for inhibiting bacterial growth and therefore are useful in treating and/or preventing bacterial infections. Methods of using the compounds for treating and/or preventing a bacterial infection in a subject are also described.

  本文描述了式(I')、式(IA)、式(I)-(VII)的化合物，以及这些化合物的药用盐、溶剂合物、水合物、多型体、共晶体、互变异构体、立体异构体、同位素标记衍生物和前药。本发明还提供了这些化合物的用于人类和兽医用途的药物组合物。本发明的化合物对抑制细菌生长有用，因此在治疗和/或预防细菌感染方面具有用途。还描述了使用这些化合物治疗和/或预防受试者细菌感染的方法。
• Use of substituted 2 phenylbenzimidazoles as medicaments
  申请人：Streicher Ruediger

  公开号：US20050014810A1

  公开（公告）日：2005-01-20

  The present invention relates to the use of a substituted 2-phenylbenzimidazole of formula I wherein R 1 , R 2 , R 3 , R 4 , R 5 and m have the meanings given in the claims, for the preparation of a medicament for the treatment or prevention of diseases involving glucagon receptors, as well as new compounds of formula I wherein R 1 is a group of formula

  本发明涉及使用式I的取代2-苯基苯并咪唑，其中R1、R2、R3、R4、R5和m具有权利要求中给出的含义，用于制备治疗或预防涉及胰高血糖素受体疾病的药物，以及式I的新化合物，其中R1是一个公式的基团。
• Antibacterial water-soluble cutting fluids resistant to yeast-like fungi
  申请人：YUSHIRO CHEMICAL INDUSTRY CO. LTD.

  公开号：EP0388320A1

  公开（公告）日：1990-09-19

  A bactericide is added to conventional water-soluble cutting fluids to suppress deterioration by micro­organisms. Such fluids are however accompanied by the drawbacks that the bactericide has a narrow antibacterial spectrum and moreover its effects last a short time. It is the object of the present invention to offers water-­soluble cutting fluids which remain resistant to a wide variety of microorganisms for a long time. The present invention therefore offers water-soluble cutting fluids to which has been added a specific amine selected from amines known to date.

  将细菌杀灭剂添加到传统的水溶性切削液中，以抑制微生物的腐败。然而，这种液体伴随着细菌杀灭剂的缺点，即细菌杀灭剂的抗菌谱较窄，而且其效果持续时间较短。本发明的目的是提供一种长时间保持对各种微生物具有抗性的水溶性切削液。因此，本发明提供了一种水溶性切削液，其中添加了一种特定的胺，该胺是从迄今为止已知的胺中选择的。
• [EN] CHEMICAL BLOWING AGENT AND THERMALLY EXPANDABLE THERMOPLASTIC COMPOSITION<br/>[FR] AGENT D'EXPANSION CHIMIQUE ET COMPOSITION THERMOPLASTIQUE THERMOEXPANSIBLE
  申请人：SIKA TECHNOLOGY AG

  公开号：WO2016097365A1

  公开（公告）日：2016-06-23

  The present invention relates to a chemical blowing agent comprising at least one tertiary alkyl carbamate. The chemical blowing agent can be activated thermally and is suitable for foaming thermoplastic materials and can for example be incorporated into thermally expandable baffle and/or reinforcement elements which are used in automotive manufacturing and building insulation.

  本发明涉及一种化学发泡剂，包括至少一种三级烷基碳酸酯。该化学发泡剂可以通过热激活，并适用于发泡热塑性材料，例如可以被用于汽车制造和建筑隔热中的热膨胀挡板和/或加固元件中。
• 1H-Imidazole-2,5-Dicarboxamides as NS4A Peptidomimetics: Identification of a New Approach to Inhibit HCV-NS3 Protease
  作者：Abdelsattar M. Omar、Mahmoud A. Elfaky、Stefan T. Arold、Sameh H. Soror、Maan T. Khayat、Hani Z. Asfour、Faida H. Bamane、Moustafa E. El-Araby

  DOI：10.3390/biom10030479

  日期：——

  found to inhibit NS3 function. The bridging from peptide inhibitors to heterocyclic peptidomimetics of NS4A has not been considered in the literature and, therefore, we decided to explore this strategy for developing a new class of NS3 inhibitors. In this report, a structure-based design approach was used to convert the bound form of NS4A into 1H-imidazole-2,5-dicarboxamide derivatives as first generation

  非结构 (NS) 蛋白 NS3/4A 蛋白酶是丙型肝炎病毒 (HCV) 成熟的关键因素，需要 NS4A 激活。 NS4A 的合成肽突变体被发现可以抑制 NS3 功能。文献中尚未考虑从肽抑制剂到 NS4A 杂环肽模拟物的桥接，因此，我们决定探索这种策略来开发一类新的 NS3 抑制剂。在本报告中，采用基于结构的设计方法将 NS4A 的结合形式转化为 1H-咪唑-2,5-二甲酰胺衍生物，作为第一代肽模拟物。该支架模拟了激活 NS3 蛋白酶所需的 NS4A21`-33` 核心的埋藏氨基酸序列 Ile-25` 至 Arg-28`。一些合成的化合物（编码 MOC）能够竞争并取代 NS4A21`-33` 与 NS3 的结合。例如，N5-(4-胍基丁基)-N2-(正己基)-1H-咪唑-2,5-二甲酰胺(MOC-24)以竞争半最大抑制浓度抑制NS4A21`-33`的结合(在荧光各向异性测定中，IC50）为 1