3-乙基-1,2-苯并恶唑-6-醇 | 66033-93-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并异恶唑
• 中文名称: 3-乙基-1,2-苯并恶唑-6-醇
• 英文名称: 3-ethyl-6-hydroxybenzisoxazole
• 英文别名: 3-ethylbenzo[d]isoxazole-6-ol；6-Hydroxy-3-ethyl-1,2-benzisoxazol；3-ethyl-benzo[d]isoxazol-6-ol；3-Ethylbenzo[d]isoxazol-6-ol；3-ethyl-1,2-benzoxazol-6-ol
• CAS: 66033-93-0
• 化学式: C₉H₉NO₂
• 分子量: 163.176
• InChiKey: JKBGIUSYZSSVET-UHFFFAOYSA-N

物化性质

• 沸点：
  316.8±22.0 °C(Predicted)
• 密度：
  1.247±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  46.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-乙基-1,2-苯并恶唑-6-醇 以30%的产率得到
  参考文献：
  名称：

  THAKAR K. A.; BHAWAL B. M., INDIAN J. CHEM., 1977, B 15, NO 11 1056-1058

  摘要：

  DOI：
• 作为产物：
  描述：

  2,4-二羟基苯丙酮 以85%的产率得到
  参考文献：
  名称：

  THAKAR K. A.; BHAWAL B. M., INDIAN J. CHEM., 1977, B 15, NO 11 1056-1058

  摘要：

  DOI：

文献信息

• ANTI-ENTEROVIRUS 71 THIADIAZOLIDINE DERIVATIVE
  申请人：JIANGSU KANION PHARMACEUTICAL CO. LTD

  公开号：US20170066732A1

  公开（公告）日：2017-03-09

  Disclosed is a novel anti-enterovirus 71 (EV71) 1,2,5-thiadiazolidine-1,1-dioxide derivative or a pharmaceutically acceptable salt thereof; and specifically, a compound represented by formula (II) or a pharmaceutically acceptable salt thereof.

  揭示了一种新型抗肠道病毒71（EV71）1,2,5-噻二唑啉-1,1-二氧化物衍生物或其药用盐；具体而言，是由式（II）表示的化合物或其药用盐。
• Synthesis of 1-O-acetylbritannilactone analogues from Inula britannica and in vitro evaluation of their anticancer potential
  作者：Jiang-Jiang Tang、Shuai Dong、Yang-Yang Han、Ming Lei、Jin-Ming Gao

  DOI：10.1039/c4md00209a

  日期：——

  A series of novel ABL analogues was synthesized by N/O-atom installing and aromatic ring esterifying, and 4a showed in vitro markedly anticancer activities against HeLa cells associated with induction of apoptosis, activation of caspase-3 and G2/M cell arrest.

  一系列新颖的ABL类似物通过N/O原子的安装和芳香环酯化合成，其中4a显示出对HeLa细胞的显著体外抗癌活性，与诱导凋亡、激活caspase-3和G2/M细胞周期阻滞有关。
• [EN] ANTI-ENTEROVIRUS 71 THIADIAZOLIDINE DERIVATIVE<br/>[FR] DÉRIVÉ DE THIADIAZOLIDINE ANTI-ENTÉROVIRUS 71<br/>[ZH] 抗肠病毒71噻二唑烷衍生物
  申请人：MEDSHINE DISCOVERY INC

  公开号：WO2015165340A1

  公开（公告）日：2015-11-05

  本发明公开了新的抗肠道病毒71型（EV71）1,2,5-噻二唑烷-1,1-二氧化物衍生物或其药学上可接受的盐，具体公开了式（Ⅱ）所示化合物或其药学上可接受的盐。
• Shinde, D. B.; Shingare, M. S.; Gupta, P. P., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1991, vol. 30, # 10, p. 950 - 952
  作者：Shinde, D. B.、Shingare, M. S.、Gupta, P. P.、Srimal, R. C.

  DOI：——

  日期：——
• Discovery of Potent EV71 Capsid Inhibitors for Treatment of HFMD
  作者：Peng Li、Jun Yu、Fei Hao、Haiying He、Xuyang Shi、Jiao Hu、Li Wang、Chunyan Du、Xiao Zhang、Ya Sun、Fusen Lin、Zhengxian Gu、Deming Xu、Xinsheng Chen、Liang Shen、Guoping Hu、Jian Li、Shuhui Chen、Wei Xiao、Zhenzhong Wang、Qingming Guo、Xiujuan Chang、Xuyang Tian、Tianwei Lin

  DOI：10.1021/acsmedchemlett.7b00188

  日期：2017.8.10

  Enterovirus 71 (EV71) is a major causative agent of hand, foot, and mouth disease (HFMD), which can spread its infections to the central nervous and other systems with severe consequences. The viral caspid protein VP1 is a well-known target for antiviral efficacy because its occupancy by suitable compounds could stabilize the virus capsid, thus preventing uncoating of virus for RNA release. In this Letter, design, synthesis, and biological evaluation of novel anti-EV71 agents (aminopyridyl 1,2,5-thiadiazolidine 1,1-dioxides) are described. One of the most promising compounds (14) showed excellent antiviral activity against EV71 (EC50 = 4 nM) and exhibited excellent in vivo efficacy in the EV71 infected mouse model.