7-n-butoxyindole | 852391-54-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 7-n-butoxyindole
• 英文别名: 1h-Indole,7-butoxy-；7-butoxy-1H-indole
• CAS: 852391-54-9
• 化学式: C₁₂H₁₅NO
• 分子量: 189.257
• InChiKey: PIKPCGWVCJWTPD-UHFFFAOYSA-N

物化性质

• 沸点：
  334.4±15.0 °C(Predicted)
• 密度：
  1.078±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  25
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  7-n-butoxyindole 在 哌啶 、 三氯氧磷 作用下， 反应 6.0h， 生成
  参考文献：
  名称：

  Structure–activity relationship study of novel necroptosis inhibitors

  摘要：

  Necroptosis is a regulated caspase-independent cell death mechanism that results in morphological features resembling necrosis. It can be induced in a FADD-deficient variant of human Jurkat T cells treated with TNF-alpha. 5-(1H-Indol-3-ylmethyl)-2-thiohydantoins and 5-(1H-indol-3-ylmethyl)hydantoins were found to be potent necroptosis inhibitors (called necrostatins). A SAR study revealed that several positions of the indole were intolerant of substitution, while small substituents at the 7-position resulted in increased inhibitory activity. The hydantoin ring was also quite sensitive to structural modifications. A representative member of this compound class demonstrated moderate pharmacokinetic characteristics and readily entered the central nervous system upon intravenous administration. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.07.077
• 作为产物：
  描述：

  7-苄氧基吲哚 在 palladium on activated charcoal 氢气 、 potassium carbonate 作用下， 以 乙醇 、 丁酮 为溶剂， 反应 18.0h， 生成 7-n-butoxyindole
  参考文献：
  名称：

  Structure–activity relationship study of novel necroptosis inhibitors

  摘要：

  Necroptosis is a regulated caspase-independent cell death mechanism that results in morphological features resembling necrosis. It can be induced in a FADD-deficient variant of human Jurkat T cells treated with TNF-alpha. 5-(1H-Indol-3-ylmethyl)-2-thiohydantoins and 5-(1H-indol-3-ylmethyl)hydantoins were found to be potent necroptosis inhibitors (called necrostatins). A SAR study revealed that several positions of the indole were intolerant of substitution, while small substituents at the 7-position resulted in increased inhibitory activity. The hydantoin ring was also quite sensitive to structural modifications. A representative member of this compound class demonstrated moderate pharmacokinetic characteristics and readily entered the central nervous system upon intravenous administration. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.07.077

文献信息

• Inhibitors of HIV-1 attachment. Part 2: An initial survey of indole substitution patterns
  作者：Nicholas A. Meanwell、Owen B. Wallace、Haiquan Fang、Henry Wang、Milind Deshpande、Tao Wang、Zhiwei Yin、Zhongxing Zhang、Bradley C. Pearce、Jennifer James、Kap-Sun Yeung、Zhilei Qiu、J.J. Kim Wright、Zheng Yang、Lisa Zadjura、Donald L. Tweedie、Suresh Yeola、Fang Zhao、Sunanda Ranadive、Brett A. Robinson、Yi-Fei Gong、Hwei-Gene Heidi Wang、Wade S. Blair、Pei-Yong Shi、Richard J. Colonno、Pin-fang Lin

  DOI：10.1016/j.bmcl.2009.02.040

  日期：2009.4

  inhibitor of the interaction between HIV gp120 and host cell CD4 receptors, on activity in an HIV entry assay was examined. Small substituents at C-4 generally resulted in increased potency whilst substitution at C-7 was readily tolerated and uniformly produced more potent HIV entry inhibitors. Substituents deployed at C-6 and, particularly, C-5 generally produced a modest to marked weakening of potency

  将简单的卤素，烷基和烷氧基取代基引入1-（4-苯甲酰基哌嗪-1-基）-2-（1 H检测了HIV gp120和宿主细胞CD4受体之间相互作用的抑制剂-吲哚-3-基）乙烷-1,2-二酮对HIV进入检测活性的抑制作用。C-4处的小取代基通常会提高效力，而C-7处的取代很容易被接受，并且会均匀产生更有效的HIV进入抑制剂。与原型相比，部署在C-6（尤其是C-5）上的替代品通常会产生一定程度的效力减弱。N-1处的小烷基取代基对活性的影响最小，同时增加了烷基部分的大小，导致抑制性能逐渐降低。这些研究建立了对HIV附着抑制剂药效团的吲哚成分的基本理解。
• [EN] BENZOIMIDAZOLE DERIVATIVES AND GLYCOGEN SYNTHASE KINASE-3 BETA INHIBITORS CONTAINING THE SAME<br/>[FR] DÉRIVÉS DE BENZIMIDAZOLE ET INHIBITEURS DE GLYCOGÈNE SYNTHASE KINASE-3-BÊTA CONTENANT CEUX-CI
  申请人：ONCOTHERAPY SCIENCE INC

  公开号：WO2010014794A1

  公开（公告）日：2010-02-04

  Benzoimidazole Derivatives are provided. The compounds of the present invention are useful for Glycogen Synthase Kinase-3 Beta Inhibitors.

  苯并咪唑衍生物已提供。本发明的化合物对于糖原合成酶激酶-3β抑制剂是有用的。
• Inhibitors of cellular necrosis
  申请人：Cuny D. Gregory

  公开号：US20050119260A1

  公开（公告）日：2005-06-02

  The present invention relates to compounds and pharmaceutical preparations and their use in therapy for preventing or treating trauma, ischemia, stroke and degenerative diseases associated with cell death. Methods and compositions of the invention are particularly useful for treating neurological disorders associated with cellular necrosis.

  本发明涉及化合物、药物制剂及其在预防或治疗与细胞死亡相关的创伤、缺血、中风和退行性疾病中的应用的治疗。本发明的方法和组合物特别适用于治疗与细胞坏死相关的神经系统疾病。
• Method for producing trimer of indole derivative, and trimer of indole derivative and laminated structure thereof
  申请人：——

  公开号：US20040019097A1

  公开（公告）日：2004-01-29

  The present invention provides an industrial method that allows to produce an indole derivative trimer with high purity in mass, as well as novel indole derivative trimers obtainable by the method, having high conductivity, high oxidation—reduction potential, high oxidation—reduction capacity, and the excellent cycle characteristics. The present invention relates to a method of producing an indole derivative trimer comprising the step of oxidizing an indole derivative in a reaction solution containing an organic solvent and to the novel trimers produced by the method.

  本发明提供了一种工业方法，可以在反应溶液中氧化含有有机溶剂的吲哚衍生物，从而制备高纯度的吲哚衍生物三聚体，并获得具有高电导率、高氧化还原电位、高氧化还原容量和优异循环特性的新型吲哚衍生物三聚体。本发明涉及一种制备吲哚衍生物三聚体的方法，包括氧化含有有机溶剂的吲哚衍生物的步骤，以及通过该方法制备的新型三聚体。
• Composition containing carbon nanotubes having coating thereof and process for producing them
  申请人：Saitoh Takashi

  公开号：US20060052509A1

  公开（公告）日：2006-03-09

  The object of the present invention is to provide a carbon nanotube composition that does not impair the characteristics of the carbon nanotubes itself, allows the carbon nanotubes to be dispersed or solubilized in a solvent, does not cause separation or aggregation of the carbon nanotubes even during long-term storage, has superior electrical conductivity, film formability and moldability, can be easily coated or covered onto a base material, and the resulting coated film has superior moisture resistance, weather resistance and hardness; a composite having a coated film composed thereof; and, their production methods. In order to achieve this object, the present invention provides a carbon nanotube composition that contains a conducting polymer (a) or heterocyclic compound trimer (i), a solvent (b) and carbon nanotubes (c), and may additionally contain a high molecular weight compound (d), a basic compound (e), a surfactant (f), a silane coupling agent (g) and colloidal silica (h) as necessary; a composite having a coated film composed of the composition; and, their production methods.

  本发明的目的是提供一种碳纳米管组合物，不会影响碳纳米管本身的特性，使碳纳米管可以分散或溶解在溶剂中，在长期储存期间不会导致碳纳米管分离或聚集，具有优异的电导性、成膜性和成型性，可以轻松地涂覆或覆盖在基材上，所得到的涂层膜具有优异的防潮性、耐候性和硬度；一种由涂层膜组成的复合材料；以及它们的生产方法。为了实现这一目的，本发明提供了一种碳纳米管组合物，其中包含导电聚合物(a)或杂环化合物三聚体(i)、溶剂(b)和碳纳米管(c)，并可根据需要另外包含高分子量化合物(d)、碱性化合物(e)、表面活性剂(f)、硅烷偶联剂(g)和胶体二氧化硅(h)；一种由该组合物组成的涂层膜复合材料；以及它们的生产方法。