3-(2,2-dimethyl-propyl)-1H-indole

• 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: 3-(2,2-dimethyl-propyl)-1H-indole
• 英文别名: 3-(2,2-dimethylpropyl)-1H-indole
• 化学式: C₁₃H₁₇N
• 分子量: 187.285
• InChiKey: QGHUUDBHTLNOLN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  15.8
• 氢给体数：
  1
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  Diethyl [(2-isocyanophenyl)methyl]phosphonate 在 镍 偶氮二异丁腈 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 乙醇 、 正己烷 、 乙腈 为溶剂， 反应 2.08h， 生成 3-(2,2-dimethyl-propyl)-1H-indole
  参考文献：
  名称：

  A Novel Protocol for Construction of Indolylmethyl Group at Aldehydes or Ketones

  摘要：

  本文介绍了一种通过 Horner-Wadsworth-Emmons 缩合、硫醇介导的自由基环化以及随后的脱硫反应，使用（邻异氰酸苯甲基）膦酸二乙酯向醛或酮中引入吲哚甲基的新方法。Horner-Wadsworth-Emmons 试剂由 2-硝基苯甲醛通过简洁的三步顺序制备而成。

  DOI：

  10.1055/s-2001-16808

文献信息

• Macrocyclic Modulators of the Ghrelin Receptor
  申请人：Ocera Therapeutics, Inc.

  公开号：US20180110824A1

  公开（公告）日：2018-04-26

  The present invention provides novel conformationally-defined macrocyclic compounds that have been demonstrated to be selective modulators of the ghrelin receptor (growth hormone secretagogue receptor, GHS-R1a and subtypes, isoforms and variants thereof). Methods of synthesizing the novel compounds are also described herein. These compounds are useful as agonists of the ghrelin receptor and as medicaments for treatment and prevention of a range of medical conditions including, but not limited to, metabolic and/or endocrine disorders, gastrointestinal disorders, cardiovascular disorders, obesity and obesity-associated disorders, central nervous system disorders, genetic disorders, hyperproliferative disorders and inflammatory disorders.

  本发明提供了一种新颖的构象定义明确的大环化合物，已经证明是生长激素分泌素受体（GHS-R1a及其亚型、异构体和变体）的选择性调节剂。本文还描述了合成这些新型化合物的方法。这些化合物可用作生长激素分泌素受体的激动剂，用于治疗和预防一系列医疗状况，包括但不限于代谢和/或内分泌紊乱、胃肠道紊乱、心血管疾病、肥胖和与肥胖相关的疾病、中枢神经系统疾病、遗传疾病、过度增殖性疾病和炎症性疾病。
• Hepatitis C Virus Inhibitors
  申请人：Bristol-Myers Squibb Company

  公开号：US20130183269A1

  公开（公告）日：2013-07-18

  The present disclosure is generally directed to antiviral compounds, and more specifically directed to combinations of compounds which can inhibit the function of the NS5A protein encoded by Hepatitis C virus (HCV), compositions comprising such combinations, and methods for inhibiting the function of the NS5A protein.

  本公开涉及抗病毒化合物，更具体地涉及能够抑制丙型肝炎病毒（HCV）编码的NS5A蛋白功能的化合物组合，包括这种组合的组成物，以及抑制NS5A蛋白功能的方法。
• PYRAZOLE COMPOUNDS, FORMULATIONS THEREOF, AND A METHOD FOR USING THE COMPOUNDS AND/OR FORMULATIONS
  申请人：Rigel Pharmaceuticals, Inc.

  公开号：US20210061798A1

  公开（公告）日：2021-03-04

  Disclosed herein are embodiments of a pyrazole compound according to formula I. Compositions comprising the compound, and a method for making the composition also are disclosed. The composition may comprise a carrier, such as a polymer and/or the composition may be a spray-dried formulation. Also disclosed is a method for using the compound and/or composition. The compound and/or composition may be useful to inhibit an IRAK protein and/or to ameliorate, treat and/or prevent an IRAK-associated disease or condition in a subject.

  披露了根据公式I的吡唑化合物的一种实施例。还披露了包含该化合物的组合物以及制造该组合物的方法。该组合物可以包含载体，例如聚合物和/或该组合物可以是喷雾干燥的制剂。还披露了一种使用该化合物和/或组合物的方法。该化合物和/或组合物可用于抑制IRAK蛋白和/或在主体上改善、治疗和/或预防IRAK相关疾病或状况。
• SUBSTITUTED OXADIAZOLE COMPOUNDS AND THEIR USE AS OPIOID RECEPTOR LIGANDS
  申请人：MERLA Beatrix

  公开号：US20090005427A1

  公开（公告）日：2009-01-01

  Substituted oxadiazole compounds corresponding to formula I: in which X denotes CH, CH 2 , CH═CH, CH 2 CH 2 , CH 2 CH═CH or CH 2 CH 2 CH 2 ; R 1 denotes aryl or heteroaryl, in each case unsubstituted or mono- or polysubstituted; or a C 1-3 alkyl group-linked aryl or heteroaryl group, in each case unsubstituted or mono- or polysubstituted; R 2 denotes aryl or heteroaryl, in each case unsubstituted or mono- or polysubstituted; a C 1-3 alkyl chain-attached aryl group, in each case unsubstituted or mono- or polysubstituted; and R 3 and R 4 independently denote H; C 1-6 alkyl, in each case saturated or unsaturated, branched or unbranched, wherein R 3 and R 4 do not simultaneously mean H; or R 3 and R 4 together denote CH 2 CH 2 OCH 2 CH 2 , or (CH 2 ) 3-6 . The compounds have an affinity for the μ-opioid receptor and may take the form of the racemate; enantiomers, diastereomers, mixtures of enantiomers or diastereomers, an individual enantiomer or diastereomer, a free base, or a salt with a physiologically acceptable acid.

  将与式I对应的氧代二唑化合物替换为：其中X表示CH、CH2、CH═CH、CH2CH2、CH2CH═CH或CH2CH2CH2；R1表示芳基或杂环基，每种情况下未取代或单取代或多取代；或者与芳基或杂环基连接的C1-3烷基基团，每种情况下未取代或单取代或多取代；R2表示芳基或杂环基，每种情况下未取代或单取代或多取代；连接有C1-3烷基链的芳基基团，每种情况下未取代或单取代或多取代；R3和R4独立地表示H；C1-6烷基，每种情况下饱和或不饱和，支链或直链，其中R3和R4不同时表示H；或者R3和R4一起表示CH2CH2OCH2CH2，或(CH2)3-6。这些化合物对μ-阿片受体具有亲和力，可能采取消旋体的形式；对映异构体、二对映异构体、对映异构体或二对映异构体的混合物、单个对映异构体或二对映异构体、游离碱或与生理上可接受的酸形成盐。
• Anti-Inflammatory and Antioxidant Conjugates Useful for Treating Metabolic Disorders
  申请人：Mian Alec

  公开号：US20100234452A1

  公开（公告）日：2010-09-16

  The present invention is directed to methods for treating metabolic disorders with compounds that are conjugates. The conjugates of the present invention are comprised of salicylic acid, triflusal, diflusinal, salsalate, IMD-0354, ibuprofen, diclofenac, licofelone, or HTB, and one or more antioxidants.

  本发明涉及使用酯类化合物治疗代谢性疾病的方法。本发明的酯类化合物包括水杨酸、三氟沙利酸、二氟西纳酸、水杨酸盐、IMD-0354、布洛芬、双氯芬酸、利可酮或HTB，以及一种或多种抗氧化剂。