6-methylsulfonyl-2,3-dihydro-1H-indole | 927427-56-3

• 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: 6-methylsulfonyl-2,3-dihydro-1H-indole
• 英文别名: 6-(Methylsulfonyl)indoline
• CAS: 927427-56-3
• 化学式: C₉H₁₁NO₂S
• 分子量: 197.258
• InChiKey: YVPTVSOHKTZRBW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  54.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  二乙基氰化铝 、 6-methylsulfonyl-2,3-dihydro-1H-indole 在 titanium(IV) isopropylate 作用下， 以 二氯甲烷 为溶剂， 反应 18.0h， 以18%的产率得到2-(1H-imidazol-5-yl)-2-(6-methylsulfonyl-2,3-dihydroindol-1-yl)acetonitrile
  参考文献：
  名称：

  WO2007/24944

  摘要：

  公开号：
• 作为产物：
  描述：

  1-羟基-6-甲基磺酰吲哚 在 硼烷四氢呋喃络合物 、 三氟乙酸 、 sodium hydroxide 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 0.5h， 以75%的产率得到6-methylsulfonyl-2,3-dihydro-1H-indole
  参考文献：
  名称：

  WO2007/24944

  摘要：

  公开号：

文献信息

• GPR119 Receptor Agonists
  申请人：Erickson Shawn David

  公开号：US20090286812A1

  公开（公告）日：2009-11-19

  Provided herein are compounds of the formula (I): as well as pharmaceutically acceptable salts thereof, wherein the substituents are as those disclosed in the specification. These compounds, and the pharmaceutical compositions containing them, are useful for the treatment of metabolic diseases and disorders such as, for example, type II diabetes mellitus.

  提供以下公式(I)的化合物： 以及可药用的接受盐，其中取代基如说明书中所披露。这些化合物以及含有它们的药物组合物可用于治疗代谢性疾病和障碍，例如，2型糖尿病。
• Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP
  作者：Gianni Chessari、Ildiko M. Buck、James E. H. Day、Philip J. Day、Aman Iqbal、Christopher N. Johnson、Edward J. Lewis、Vanessa Martins、Darcey Miller、Michael Reader、David C. Rees、Sharna J. Rich、Emiliano Tamanini、Marc Vitorino、George A. Ward、Pamela A. Williams、Glyn Williams、Nicola E. Wilsher、Alison J.-A. Woolford

  DOI：10.1021/acs.jmedchem.5b00706

  日期：2015.8.27

  Inhibitor of apoptosis proteins (IAPs) are important regulators of apoptosis and pro-survival signaling pathways whose deregulation is often associated with tumor genesis and tumor growth. IAPs have been proposed as targets for anticancer therapy, and a number of peptidomimetic IAP antagonists have entered clinical trials. Using our fragment-based screening approach, we identified nonpeptidic fragments

  凋亡蛋白（IAP）抑制剂是凋亡和促生存信号通路的重要调节剂，它们的失调通常与肿瘤的发生和肿瘤的生长有关。已经提出将IAPs作为抗癌治疗的靶标，并且许多模拟肽的IAP拮抗剂已经进入临床试验。使用基于片段的筛选方法，我们鉴定了与毫摩尔亲和力结合到凋亡蛋白1的细胞抑制剂（cIAP1）和X连锁凋亡蛋白抑制剂（XIAP）的非肽片段。基于结构的命中优化以及对蛋白质-配体静电势互补性的分析使我们能够显着提高起始命中的结合亲和力。随后的优化产生了一种有效的壬丙氨酸IAP拮抗剂，其结构与之前报道的所有IAP拮抗剂均不同。该先导化合物在基于细胞的测定和小鼠异种移植功效模型中均具有活性，是进一步优化的极有前途的起点。
• Functionally selective alpha2C adrenoreceptor agonists
  申请人：McCormick D. Kevin

  公开号：US20070099872A1

  公开（公告）日：2007-05-03

  In its many embodiments, the present invention provides a novel class of indolines as inhibitors of α2C adrenergic receptor agonists, methods of preparing such compounds, pharmaceutical compositions containing one or more such compounds, methods of preparing pharmaceutical formulations comprising one or more such compounds, and methods of treatment, prevention, inhibition, or amelioration of one or more conditions associated with the α2C adrenergic receptors using such compounds or pharmaceutical compositions.

  在其许多实施方式中，本发明提供了一种新型的吲哚烷类化合物，作为α2C肾上腺素能受体激动剂的抑制剂，制备这种化合物的方法，含有一种或多种这种化合物的制药组合物，制备包含一种或多种这种化合物的制药制剂的方法，以及使用这种化合物或制药组合物的方法，用于治疗、预防、抑制或缓解与α2C肾上腺素能受体相关的一种或多种疾病。
• BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY
  申请人：Woolford Alison Jo-Anne

  公开号：US20140179666A1

  公开（公告）日：2014-06-26

  The invention relates to bicyclic heterocycle compounds of formula (I): or tautomeric or stereochemically isomeric forms, N-oxides, pharmaceutically acceptable salts or the solvates thereof; wherein R 1 , R 2a , R 2b , R 3a , R 3b , R 5 , R 6 , R 7 , R 8 , R 9 , p and E are as defined herein; to pharmaceutical compositions comprising said compounds and to the use of said compounds in the treatment of diseases, e.g. cancer.

  该发明涉及公式（I）的二环杂环化合物，或其互变异构体或立体化学异构体、N-氧化物、药学上可接受的盐或其溶剂合物；其中R1、R2a、R2b、R3a、R3b、R5、R6、R7、R8、R9、p和E的定义如本文所述；以及包含所述化合物的制药组合物和所述化合物在治疗疾病，例如癌症中的应用。
• Structure-Based Design, Synthesis, and Biological Evaluation of Irreversible Human Rhinovirus 3C Protease Inhibitors. 1. Michael Acceptor Structure−Activity Studies
  作者：Peter S. Dragovich、Stephen E. Webber、Robert E. Babine、Shella A. Fuhrman、Amy K. Patick、David A. Matthews、Caroline A. Lee、Siegfried H. Reich、Thomas J. Prins、Joseph T. Marakovits、Ethel S. Littlefield、Ru Zhou、Jayashree Tikhe、Clifford E. Ford、Michael B. Wallace、James W. Meador、Rose Ann Ferre、Edward L. Brown、Susan L. Binford、James E. V. Harr、Dorothy M. DeLisle、Stephen T. Worland

  DOI：10.1021/jm980068d

  日期：1998.7.1

  The structure-based design, chemical synthesis, and biological evaluation of peptide-derived human rhinovirus (HRV) 3C protease (3CP) inhibitors are described. These compounds incorporate various Michael acceptor moieties and are shown to irreversibly bind to HRV serotype 14 3CP with inhibition activities (k(obs)/[I]) ranging from 100 to 600 000 M-1 s(-1). These inhibitors are also shown to exhibit antiviral activity when tested against HRV-14-infected H1-HeLa cells with EC50's approaching 0.50 mu M. Extensive structure-activity relationships developed by Michael acceptor alteration are reported along with the evaluation of several compounds against HRV serotypes other than 14. A 2.0 Angstrom crystal structure of a peptide-derived inhibitor complexed with HRV-2 3CP is also detailed.