3-methyl-6-nitroindoline | 860756-52-1

• 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-methyl-6-nitroindoline
• 英文别名: 3-Methyl-6-nitro-indolin；3-methyl-6-nitro-2,3-dihydro-1H-indole
• CAS: 860756-52-1
• 化学式: C₉H₁₀N₂O₂
• 分子量: 178.191
• InChiKey: LLHAVRBHKGEXTH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  57.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-methyl-6-nitroindoline 在 palladium on activated charcoal 氢气 作用下， 以 乙醇 、 乙酸乙酯 为溶剂， 反应 5.0h， 生成 3-甲基-6-吲哚啉胺
  参考文献：
  名称：

  New nonsteroidal androgen receptor modulators based on 4-(trifluoromethyl)-2(1H)-pyrrolidino[3,2-g]quinolinone

  摘要：

  A series of 2(1H)-pyrrolidino [3,2-g]quinolinones was prepared and tested for the ability to modulate the transcriptional activity of the human androgen receptor (hAR). The parent compound, 4-(trifluoromethyl)-2(1H)-pyrrolidino[3,2-g]quinolinone, displayed moderate interaction with hAR, but more substituted analogues, particularly 6,7-disubstituted compounds, were potent hAR agonists in vitro. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00107-3
• 作为产物：
  描述：

  3-甲基吲哚 在 硫酸 、 硝酸 、 sodium cyanoborohydride 、 溶剂黄146 作用下， 反应 0.08h， 生成 3-methyl-6-nitroindoline
  参考文献：
  名称：

  New nonsteroidal androgen receptor modulators based on 4-(trifluoromethyl)-2(1H)-pyrrolidino[3,2-g]quinolinone

  摘要：

  A series of 2(1H)-pyrrolidino [3,2-g]quinolinones was prepared and tested for the ability to modulate the transcriptional activity of the human androgen receptor (hAR). The parent compound, 4-(trifluoromethyl)-2(1H)-pyrrolidino[3,2-g]quinolinone, displayed moderate interaction with hAR, but more substituted analogues, particularly 6,7-disubstituted compounds, were potent hAR agonists in vitro. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00107-3

文献信息

• v. Braun; Grabowski; Rawicz, Chemische Berichte, 1913, vol. 46, p. 3182
  作者：v. Braun、Grabowski、Rawicz

  DOI：——

  日期：——
• v. Braun, Chemische Berichte, 1914, vol. 47, p. 502
  作者：v. Braun

  DOI：——

  日期：——
• SMALL-MOLECULE MODULATORS OF SPIKE PROTEIN
  申请人：[en]NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING

  公开号：WO2024114782A1

  公开（公告）日：2024-06-06

  Disclosed herein are small-molecule modulators of spike protein, particularly modulators of betacoronavirus spike proteins, more particularly modulators of SARS-CoV-2 spike proteins. Also disclosed herein is the therapeutical use of the small molecular compounds for treating betacoronavirus infections.