摩熵化学
数据库官网
小程序
打开微信扫一扫
首页 分子通 化学资讯 化学百科 反应查询 关于我们
请输入关键词

2-((3,4,4-trifluorobut-3-en-1-yl)thio)benzooxazole | 27443-03-4

中文名称
——
中文别名
——
英文名称
2-((3,4,4-trifluorobut-3-en-1-yl)thio)benzooxazole
英文别名
2-(3,4,4-Trifluor-3-butenylthio)-benzoxazol;2-(3,4,4-trifluoro-but-3-enylsulfanyl)-benzooxazole;2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-benzoxazole
2-((3,4,4-trifluorobut-3-en-1-yl)thio)benzooxazole化学式
CAS
27443-03-4
化学式
C11H8F3NOS
mdl
——
分子量
259.252
InChiKey
OUPKLRHEAKAZOB-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    3.8
  • 重原子数:
    17
  • 可旋转键数:
    4
  • 环数:
    2.0
  • sp3杂化的碳原子比例:
    0.18
  • 拓扑面积:
    51.3
  • 氢给体数:
    0
  • 氢受体数:
    6

反应信息

  • 作为反应物:
    描述:
    2-((3,4,4-trifluorobut-3-en-1-yl)thio)benzooxazole双氧水溶剂黄146 作用下, 以 为溶剂, 以28.6%的产率得到2-((3,4,4-trifluorobut-3-en-1-yl)sulfinyl)benzooxazole
    参考文献:
    名称:
    Fluoroalkane thioheterocyclic derivatives and their antitumor activity
    摘要:
    Two series of novel trifluorobutenyl derivatives of heterocyclic with convenient and efficient synthesis methods and their antitumor activity on three cell lines have been reported for the first time. The derivatives were synthesized by the nucleophilic substitution between 4-bromo-1,1,2-trifluorobutene-1-ene and commercially available nitrogen-containing heterocycles with sulfydryl or monosubstituted malononitrile. The twenty-four new compounds were characterized by (HNMR)-H-1, (CNMR)-C-13 and HR-MS. Totally, thirty-seven compounds were evaluated for the antitumor activity on three cancer cell lines (SH-SY5Y, MCF-7 and HepG2) using conventional MIT assay. The pharmacological results indicated that the compounds 3c, 3h, 4c, 8, 9, 10 and 11 showed potent to moderate antitumor activity against three cancer cell lines, with IC50 values ranging between 0.4 mu M and 41.5 mu M. Even though they had less active than the reference compound taxol against MCF-7 and HepG2 lines, but they were better than the reference compound noscapine against SH-SY5Y cells, especially the compound 3h with a IC50 value of 0.4 mu M. (C) 2015 Elsevier Masson SAS. All rights reserved.
    DOI:
    10.1016/j.ejmech.2015.02.031
  • 作为产物:
    参考文献:
    名称:
    Fluoroalkane thioheterocyclic derivatives and their antitumor activity
    摘要:
    Two series of novel trifluorobutenyl derivatives of heterocyclic with convenient and efficient synthesis methods and their antitumor activity on three cell lines have been reported for the first time. The derivatives were synthesized by the nucleophilic substitution between 4-bromo-1,1,2-trifluorobutene-1-ene and commercially available nitrogen-containing heterocycles with sulfydryl or monosubstituted malononitrile. The twenty-four new compounds were characterized by (HNMR)-H-1, (CNMR)-C-13 and HR-MS. Totally, thirty-seven compounds were evaluated for the antitumor activity on three cancer cell lines (SH-SY5Y, MCF-7 and HepG2) using conventional MIT assay. The pharmacological results indicated that the compounds 3c, 3h, 4c, 8, 9, 10 and 11 showed potent to moderate antitumor activity against three cancer cell lines, with IC50 values ranging between 0.4 mu M and 41.5 mu M. Even though they had less active than the reference compound taxol against MCF-7 and HepG2 lines, but they were better than the reference compound noscapine against SH-SY5Y cells, especially the compound 3h with a IC50 value of 0.4 mu M. (C) 2015 Elsevier Masson SAS. All rights reserved.
    DOI:
    10.1016/j.ejmech.2015.02.031
点击查看最新优质反应信息

文献信息

  • BENZOXAZOLE AND BEZOTHIAZOLE DERIVATIVES
    申请人:ZENECA LIMITED
    公开号:EP0660830A1
    公开(公告)日:1995-07-05
  • US5451594A
    申请人:——
    公开号:US5451594A
    公开(公告)日:1995-09-19
  • Fluoroalkane thioheterocyclic derivatives and their antitumor activity
    作者:Guangxiao Li、Qian Sun、Dongling Wang、Ying Xu、Jingjing Zhuang、Qian Zhang、Dequn Sun
    DOI:10.1016/j.ejmech.2015.02.031
    日期:2015.3
    Two series of novel trifluorobutenyl derivatives of heterocyclic with convenient and efficient synthesis methods and their antitumor activity on three cell lines have been reported for the first time. The derivatives were synthesized by the nucleophilic substitution between 4-bromo-1,1,2-trifluorobutene-1-ene and commercially available nitrogen-containing heterocycles with sulfydryl or monosubstituted malononitrile. The twenty-four new compounds were characterized by (HNMR)-H-1, (CNMR)-C-13 and HR-MS. Totally, thirty-seven compounds were evaluated for the antitumor activity on three cancer cell lines (SH-SY5Y, MCF-7 and HepG2) using conventional MIT assay. The pharmacological results indicated that the compounds 3c, 3h, 4c, 8, 9, 10 and 11 showed potent to moderate antitumor activity against three cancer cell lines, with IC50 values ranging between 0.4 mu M and 41.5 mu M. Even though they had less active than the reference compound taxol against MCF-7 and HepG2 lines, but they were better than the reference compound noscapine against SH-SY5Y cells, especially the compound 3h with a IC50 value of 0.4 mu M. (C) 2015 Elsevier Masson SAS. All rights reserved.
查看更多

同类化合物

(N-{4-[(6-溴-2-氧代-1,3-苯并恶唑-3(2H)-基)磺酰基]苯基}乙酰胺) 钙离子载体A23187半镁盐 荧光增白剂EBF 苯并恶唑胺 苯并恶唑的取代物 苯并恶唑甲磺酰氯 苯并恶唑基-2-甲酰基-S-乙基-异缩氨基硫脲 苯并恶唑-2-羧酸酰肼 苯并恶唑-2-磺酸 苯并恶唑-2-甲酸 苯并恶唑-2-甲磺酸钠 苯并恶唑-2-乙酸 苯并恶唑 苯并噁唑-5-甲酸 苯并噁唑-2-羧酸乙酯 苯并噁唑-2-甲醛 苯并噁唑,4,7-二氯-2-(氯甲基)- 苯并噁唑,2-叠氮- 苯并噁唑,2-(氯甲基)-4,7-二氟- 苯并[d]恶唑-7-甲酸甲酯 苯并[d]恶唑-5-硼酸频哪醇酯 苯并[d]噁唑-6-甲醛 苯并[d]噁唑-2-羧酸甲酯 苯并[d]噁唑-2-甲醇 苯并[D]恶唑-7-胺 苯并[D]噁唑-4-基氨基甲酸叔丁酯 苯并[D]噁唑-2-羧酸钾 苯并-13C6-噁唑 离子载体 碘化二氢2-[3-(5,6-二氯-1,3-二乙基-1,3--2H-苯并咪唑-2-亚基)丙-1-烯基]-3-乙基-5-苯基苯并噁唑正离子 硫代偏糖醛 甲酰胺,N-乙基-N-[6-[(3-甲酰基苯氧基)甲基]-2-苯并噁唑基]- 甲酰胺,N-[6-(溴甲基)-2-苯并噁唑基]-N-乙基- 甲基硫酸1-甲基-8-[(甲基氨基甲酰)氧代]喹啉正离子 甲基6-氨基-1,3-苯并恶唑-2-羧酸酯 甲基2-氨基-1,3-苯并恶唑-5-羧酸酯 甲基1,3-苯并恶唑-2-基乙酸酯 甲基-2-乙基-1,3-苯并唑-5-羧酸乙酯 甲基-1,3-苯并唑-5-羧酸乙酯 环戊二烯并[e][1,3]恶嗪-5,6-二胺 环戊二烯并[d][1,3]恶嗪-6,7-二胺 溴氯唑酮 溴化二氢2-[3-[1-[4-[(乙酰氨基)磺基基]丁基]-5,6-二氯-3-乙基-1,3--2H-苯并咪唑-2-亚基]丙-1-烯基]-3-乙基-5-苯基苯并噁唑正离子 氰基二硫代亚氨酸(6-氯-2-氧代-3(2H)-苯并恶唑基)甲基甲基酯 氰基-二硫代亚氨酸甲基(2-氧代-3(2H)-苯并恶唑基)甲基酯 氯唑沙宗-2-13C-3-15N-羟基-18O 氯唑沙宗 氯化3-乙基-2-[2-(1-乙基-2,5-二甲基-1H-吡咯-3-基)乙烯基]苯并恶唑翁盐 昂唑司特 拂来星-d2