2-thioxo-5-(2,4,6-trimethoxybenzylidene)dihydropyrimidine-4,6(1H,5H)-dione

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 2-thioxo-5-(2,4,6-trimethoxybenzylidene)dihydropyrimidine-4,6(1H,5H)-dione
• 英文别名: 2-Sulfanylidene-5-[(2,4,6-trimethoxyphenyl)methylidene]-1,3-diazinane-4,6-dione
• 化学式: C₁₄H₁₄N₂O₅S
• 分子量: 322.342
• InChiKey: PFJBKNSBFMALPV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  118
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  4,6-二羟基-2-巯基嘧啶 、 2,4,6-三甲氧基苯甲醛 在 bismuth (III) nitrate pentahydrate 作用下， 以 乙醇 为溶剂， 以92%的产率得到2-thioxo-5-(2,4,6-trimethoxybenzylidene)dihydropyrimidine-4,6(1H,5H)-dione
  参考文献：
  名称：

  硫代巴比妥类药物作为潜在的抗真菌剂，可控制由念珠菌和隐球菌引起的人类感染

  摘要：

  住院患者可能患有念珠菌和隐球菌感染，加剧了潜在的健康状况。由于耐药微生物的发展，我们在此报告一些亚芳基-硫代巴比妥酸酯控制五个念珠菌的潜力。和一种具有医学意义的隐球菌。最初，开发了硝酸铋与硫代巴比妥酸和芳族醛催化的Knoevenagel缩合反应。这个新的程序产生七个新和13已知亚芳基-硫代巴比妥衍生物（1 - 20）具有优异的产率（81-95％）中，用20分钟内的反应时间。评估了所有化合物的抗微生物活性白色念珠菌，热带念珠菌，近平滑念珠菌，C.葡萄牙念珠菌，C.都柏林，和新型隐球菌。几种化合物对至少一种微生物菌株具有与市售药物一样的活性（IC 50  <1.95 µg mL -1）。结果表明，某些新化合物可作为治疗人类真菌感染的新抗菌剂的先导。

  DOI：

  10.1007/s00044-017-2126-0

文献信息

• C-REL INHIBITORS AND USES THEREOF
  申请人：CORNELL UNIVERSITY

  公开号：US20150218109A1

  公开（公告）日：2015-08-06

  Compounds having a c-Rel inhibiting property according to the formula: (1) wherein R 1 and R 2 are each independently selected from hydrogen atom and hydrocarbon groups having at least one and up to thirty carbon atoms and optionally substituted with one or more heteroatoms selected from halogen, nitrogen, oxygen, and sulfur; R 3 is selected from hydrocarbon groups having at least one and up to thirty carbon atoms and optionally substituted with one or more heteroatoms selected from halogen, nitrogen, oxygen, and sulfur; and X 1 , X 2 , and X 3 are each independently selected from oxygen and sulfur atoms. Methods for treating diseases and conditions associated with c-Rel overexpression by administering compounds of Formula (1) or a pharmaceutical composition thereof to a subject afflicted with such a disease or condition are also described.

  具有抑制c-Rel性质的化合物按照公式（1）：其中R1和R2各自独立地选择氢原子和至少一个碳原子至三十个碳原子的含有一个或多个杂原子（选自卤素、氮、氧和硫）的烃基，并且可以被一个或多个杂原子（选自卤素、氮、氧和硫）取代；R3选择至少一个碳原子至三十个碳原子的含有一个或多个杂原子（选自卤素、氮、氧和硫）的烃基，并且可以被一个或多个杂原子（选自卤素、氮、氧和硫）取代；X1、X2和X3各自独立地选择氧原子和硫原子。还描述了通过向患有这种疾病或情况的受试者投与公式（1）的化合物或其制剂来治疗与c-Rel过度表达相关的疾病和情况的方法。
• US9873674B2
  申请人：——

  公开号：US9873674B2

  公开（公告）日：2018-01-23
• [EN] C-REL INHIBITORS AND USES THEREOF<br/>[FR] INHIBITEURS DE C-REL ET LEURS UTILISATIONS
  申请人：UNIV CORNELL

  公开号：WO2014047232A2

  公开（公告）日：2014-03-27

  Compounds having a c-Rel inhibiting property according to the formula: (1) wherein R1 and R2 are each independently selected from hydrogen atom and hydrocarbon groups having at least one and up to thirty carbon atoms and optionally substituted with one or more heteroatoms selected from halogen, nitrogen, oxygen, and sulfur; R3 is selected from hydrocarbon groups having at least one and up to thirty carbon atoms and optionally substituted with one or more heteroatoms selected from halogen, nitrogen, oxygen, and sulfur; and X1, X2, and X3 are each independently selected from oxygen and sulfur atoms. Methods for treating diseases and conditions associated with c-Rel overexpression by administering compounds of Formula (1) or a pharmaceutical composition thereof to a subject afflicted with such a disease or condition are also described.