2-(环己基氧基)乙胺 | 90226-63-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 2-(环己基氧基)乙胺
• 英文名称: 2-(cyclohexyloxy)ethylamine
• 英文别名: β-Cyclohexyloxy-ethylamin；2-(cyclohexyloxy)ethanamine；2-cyclohexyloxyethanamine
• CAS: 90226-63-4
• 化学式: C₈H₁₇NO
• 分子量: 143.229
• InChiKey: UKLYEIVTROYUCW-UHFFFAOYSA-N

物化性质

• 沸点：
  223.9±13.0 °C(Predicted)
• 密度：
  0.93±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  10
• 可旋转键数：
  3
• 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

反应信息

• 作为反应物：
  描述：

  2-(环己基氧基)乙胺 在 N-甲基吗啉 、 nickel(IV) oxide 、 4 A molecular sieve 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 N,N-二异丙基乙胺 、 三苯基膦 、 三氟乙酸 作用下， 以 1,4-二氧六环 、 四氯化碳 、 二氯甲烷 、 N,N-二甲基甲酰胺 、 乙腈 、 苯 为溶剂， 反应 26.5h， 生成 N-<2-(cyclohexyloxy)ethyl>-2-<4-(3-pyridylcarbonyl)phenyl>-4-oxazolecarboxamide
  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：

  2-Cyclohexyloxyethyl methanesulfonate 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 2-(环己基氧基)乙胺
  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] 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。
• PHOTOELECTRIC CONVERSION ELEMENT, SOLAR CELL, AND COMPOSITION
  申请人：FUJIFILM Corporation

  公开号：US20180108492A1

  公开（公告）日：2018-04-19

  Provided are a photoelectric conversion element, a solar cell using the photoelectric conversion element, and a composition. The photoelectric conversion element includes a first electrode including a photosensitive layer, which includes a light absorbing agent, on a conductive support. The light absorbing agent includes a compound having a perovskite-type crystal structure that includes organic cations represented by the following Formulae (1) and (2), a cation of a metal atom, and an anion. R 1 —N(R 1a ) 3 + Formula (1) R 2 —N(R 2a ) 3 + Formula (2) In Formulae (1) and (2), R 1 represents a specific group such as an alkyl group (including a specific substituent group in a case where the number of carbons is 1 or 2), and a cycloalkyl group. R 2 represents a methyl group, an ethyl group, and the like. R 1a and R 2a represent a specific group such as a hydrogen atom and an alkyl group.

  提供了一个光电转换元件、使用该光电转换元件的太阳能电池以及一种组合物。该光电转换元件包括第一电极，该第一电极包括一个光敏层，该光敏层包括一个吸光剂，该吸光剂包括具有钙钛矿型晶体结构的化合物，其中该晶体结构包括以下式(1)和(2)所表示的有机阳离子、金属原子的阳离子和阴离子。在式(1)和(2)中，R1代表一个特定基团，如烷基基团(在碳数为1或2时包括一个特定的取代基团)和环烷基基团。R2代表甲基基团、乙基基团等。R1a和R2a代表氢原子和烷基基团等特定基团。
• 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
• [EN] INTERLEUKIN 4 (IL4)-INDUCED GENE 1 INHIBITORS AND METHODS OF USE THEREOF<br/>[FR] INHIBITEURS DU GÈNE 1 INDUIT PAR L'INTERLEUKINE 4 (IL4) ET LEURS MÉTHODES D'UTILISATION
  申请人：CALITHERA BIOSCIENCES INC

  公开号：WO2022086892A1

  公开（公告）日：2022-04-28

  The invention relates to novel heterocyclic compounds and pharmaceutical preparations thereof. The invention further relates to methods of treating or preventing cancer using the novel heterocyclic compounds of the invention.

  本发明涉及新型杂环化合物及其药物制剂。本发明还涉及使用所述新型杂环化合物治疗或预防癌症的方法。
• FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES
  申请人：Beier Christian

  公开号：US20110105566A1

  公开（公告）日：2011-05-05

  The present invention relates to hydroximoyl-tetrazole derivatives, their process of preparation, preparation intermediate compounds, their use as fungicide active agents, particularly in the form of fungicide compositions and methods for the control of phytopathogenic fungi, notably of plants, using these compounds or compositions.

  本发明涉及羟肟基-四唑衍生物、其制备过程、制备中间体化合物、其作为杀真菌活性剂的用途，特别是作为杀真菌组合物的形式和使用这些化合物或组合物控制植物病原真菌的方法。