4,6-二氯-2H-硫代色烯-3-甲醛 | 54949-15-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 硫色烯
• 中文名称: 4,6-二氯-2H-硫代色烯-3-甲醛
• 英文名称: 4,6-dichloro-2H-thiochromene-3-carbaldehyde
• CAS: 54949-15-4
• 化学式: C₁₀H₆Cl₂OS
• mdl: MFCD00084993
• 分子量: 245.129
• InChiKey: DJCRJCROFFNHCT-UHFFFAOYSA-N

物化性质

• 熔点：
  84 °C

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  42.4
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2930909090

反应信息

• 作为反应物：
  描述：

  4,6-二氯-2H-硫代色烯-3-甲醛 在 sodium tetrahydroborate 、 氯化亚砜 作用下， 以 四氢呋喃 为溶剂， 生成
  参考文献：
  名称：

  Design, synthesis, and biological evaluation of 4-chloro-2H-thiochromenes featuring nitrogen-containing side chains as potent antifungal agents

  摘要：

  A series of 4-chloro-2H-thiochromenes featuring nitrogen-containing side chains were designed, synthesized and tested in vitro for their antifungal activities. The results of preliminary antifungal tests showed that most target compounds exhibited good inhibitory activities against Candida albicans, Cryptococcus neoformans, Candida tropicalis. Notably, compounds 10e and 10y showed most potent activity in vitro against a variety of fungal pathogens with low MICs. Meanwhile, low cytotoxicity on mammalian cells has been observed for compounds 10e and 10y in the tested concentrations by the MTT assay. Therefore, the 4-chloro-2H-thiochromenes with nitrogen-containing groups provide new lead structures in the search for novel antifungal agents.

  DOI：

  10.1016/j.bmcl.2018.06.035
• 作为产物：
  描述：

  4-氯苯硫酚 在 硫酸 、 sodium carbonate 、 sodium hydroxide 、 三氯氧磷 作用下， 以 乙醇 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 29.0h， 生成 4,6-二氯-2H-硫代色烯-3-甲醛
  参考文献：
  名称：

  [EN] APT1 AND APT2 INHIBITORS AND USES THEREOF
  [FR] INHIBITEURS D'APT1 ET D'APT2 ET LEURS UTILISATIONS

  摘要：

  Compounds, compositions including one or more of the compound(s), and methods of using the compounds and the compositions. The compounds comprise an (I) group. In various examples, a compound is an Acyl Protein Thioesterase 1 inhibitor (APT1 inhibitor) and/or an Acyl Protein Thioesterase 2 inhibitor (APT2 inhibitor). Compound(s) or composition(s), which may be pharmaceutical composition(s), can be used in methods of treating diseases or disorders, such as, for example, autoimmune disorders, neurodegenerative disorders, inflammatory disorders, and immune-mediated cancer diseases.

  公开号：

  WO2022246115A1

文献信息

• Hambsch, Monika; Greif, Dieter; Pulst, Manfred, Journal fur praktische Chemie (Leipzig 1954), 1991, vol. 333, # 6, p. 849 - 854
  作者：Hambsch, Monika、Greif, Dieter、Pulst, Manfred、Weissenfels, Manfred

  DOI：——

  日期：——