CM1012-6f | 1414861-21-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: CM1012-6f
• 英文别名: Antifungal agent 49；5-benzoyl-2,3-dihydroxy-6-methylcyclohepta-2,4,6-trien-1-one
• CAS: 1414861-21-4
• 化学式: C₁₅H₁₂O₄
• 分子量: 256.258
• InChiKey: LBEOUJODZMOAIF-UHFFFAOYSA-N

物化性质

• 沸点：
  375.706±42.00 °C(Press: 760.00 Torr)(predicted)
• 密度：
  1.396±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  74.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  5-hydroxy-4-methoxy-2-methylpyrylium trifluoromethanesulfonate 在 N,N-二异丙苯胺 、 三氯化硼 作用下， 以 二氯甲烷 、 氯仿 为溶剂， 反应 3.34h， 生成 CM1012-6f
  参考文献：
  名称：

  [EN] HYDROXYLATED TROPOLONE INHIBITORS OF NUCLEOTIDYL TRANSFERASES IN HERPESVIRUS AND HEPATITS B AND USES THEREFOR
  [FR] INHIBITEURS HYDROXYLÉS DE TROPOLONE DE NUCLÉOTIDYL-TRANSFÉRASES UTILISÉS DANS LE TRAITEMENT DU VIRUS DE L'HERPÈS ET DE L'HÉPATITE B ET LEURS UTILISATIONS

  摘要：

  本公开涉及抑制疱疹病毒核酸代谢和乙型肝炎病毒的抑制剂。还提供了使用这些药剂的治疗方法。

  公开号：

  WO2016201243A1

文献信息

• Triflic Acid-Mediated Rearrangements of 3-Methoxy-8-oxabicyclo[3.2.1]octa-3,6-dien-2-ones: Synthesis of Methoxytropolones and Furans
  作者：Yvonne D. Williams、Christine Meck、Noushad Mohd、Ryan P. Murelli

  DOI：10.1021/jo401617r

  日期：2013.12.6

  because of their known biological activity and established value in the synthesis of α-hydroxytropolones. Upon treatment with triflic acid, a series of 3-methoxy-8-oxabicyclo[3.2.1]octa-3,6-dien-2-ones rearrange rapidly and cleanly to form methoxytropolones. Interestingly, bicycles that are derived from dimethyl acetylenedicarboxylate (R2 = R3 = CO2Me) instead form furans as the major product.

  甲氧基托酚酮是用于治疗开发的有用支架，因为其已知的生物活性和在 α-羟基托酚酮合成中的确定价值。用三氟甲磺酸处理后，一系列 3-甲氧基-8-氧杂二环[3.2.1]八-3,6-二烯-2-酮快速而干净地重排，形成甲氧基托酚酮。有趣的是，衍生自乙炔二甲酸二甲酯（R 2 = R 3 = CO 2 Me）的自行车反而形成呋喃作为主要产物。
• [EN] ANTI-FUNGAL COMPOUNDS<br/>[FR] COMPOSÉS ANTIFONGIQUES
  申请人：UNIV SAINT LOUIS

  公开号：WO2017184752A1

  公开（公告）日：2017-10-26

  The present disclosure provides compounds of the formula (I), (II), (III), wherein the variables are as defined herein for use in the treatment of fungal infections. In some embodiments, the fungal infection is an infection of Cryptococcus neojormans fungus. Also provided herein are compositions comprising a compound of formula I, II, or III and a second anti-fungal agent.

  本公开提供式(I)、(II)、(III)的化合物，其中变量的定义如本文所述，用于治疗真菌感染。在某些实施例中，真菌感染是新隆头菌真菌感染。此外，本文还提供包括式(I)、(II)或(III)的化合物和第二种抗真菌剂的组合物。
• INHIBITORS OF BUNYAVIRIDAE AND USES THEREOF
  申请人：Saint Louis University

  公开号：US20210393548A1

  公开（公告）日：2021-12-23

  The present disclosure provides inhibitors of bunyavirus of the formula: wherein the variables are defined herein. These inhibitors may be used to treat an infection of Rift Valley phlebovirus, hantavirus, and La Crosse virus, or Crimean-Congo Hemorrhagic fever

  本公开提供了公式如下的布尼亚病毒抑制剂：其中变量在此定义。这些抑制剂可用于治疗裂谷热布尼亚病毒、汉他病毒和拉克鲁斯病毒，或克里米亚-刚果出血热的感染。
• Anti-fungal compounds
  申请人：SAINT LOUIS UNIVERSITY

  公开号：US10980754B2

  公开（公告）日：2021-04-20

  The present disclosure provides compounds of the formula (I), (II), (III), wherein the variables are as defined herein for use in the treatment of fungal infections. In some embodiments, the fungal infection is an infection of Cryptococcus neojormans fungus. Also provided herein are compositions comprising a compound of formula I, II, or III and a second anti-fungal agent.

  本公开提供了式(I)、(II)、(III)化合物，其中变量如本文所定义，用于治疗真菌感染。在某些实施方案中，真菌感染是新隐球菌真菌的感染。本文还提供了包含式 I、II 或 III 的化合物和第二种抗真菌剂的组合物。
• An Oxidopyrylium Cyclization/Ring-Opening Route to Polysubstituted α-Hydroxytropolones
  作者：Christine Meck、Noushad Mohd、Ryan P. Murelli

  DOI：10.1021/ol302892g

  日期：2012.12.7

  alpha-Hydroxytropolones are a class of molecules with therapeutic potential against several human diseases. However, structure-activity relationship studies on these molecules have been limited due to a scarcity of efficient synthetic methods to access them. It is demonstrated herein that alpha-hydroxytropolones can be generated through a BCl3-mediated ring-opening/aromatization/demethylation process on 8-oxabicyclo[3.2.1]octenes. Used in conjunction with an improved method based on established oxidopyrylium dipolar cycloadditions, several polysubstituted alpha-hydroxytropolones can be accessed in three steps from readily available alpha-hydroxy-gamma-pyrones.