Methyl 4-((5-oxo-2-(2-thienyl)oxazol-4(5H)-ylidene)methyl)benzoate

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Methyl 4-((5-oxo-2-(2-thienyl)oxazol-4(5H)-ylidene)methyl)benzoate
• 英文别名: methyl 4-[(E)-(5-oxo-2-thiophen-2-yl-1,3-oxazol-4-ylidene)methyl]benzoate
• 化学式: C₁₆H₁₁NO₄S
• 分子量: 313.334
• InChiKey: VWFVDGSXVDZVSJ-FMIVXFBMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  93.2
• 氢给体数：
  0
• 氢受体数：
  6

文献信息

• INHIBITOR OF CASEIN KINASE 1DELTA AND CASEIN KINASE 1EPSILON
  申请人：Okamoto Masako

  公开号：US20110294857A1

  公开（公告）日：2011-12-01

  There is provided an inhibitor that inhibits casein kinase 1δ and casein kinase 1ε, and thus, there is also provided a pharmaceutical agent useful for the treatment and/or prevention of a disease, with the pathological condition of which the mechanism of activation of casein kinase 1δ or casein kinase 1ε is associated. Particularly, the above-described inhibitor is used to provide a pharmaceutical agent useful for the treatment of circadian rhythm disorder (including sleep disorder), central neurodegenerative disease, and cancer. An inhibitor of casein kinase 1δ and casein kinase 1ε, which comprises, as an active ingredient, an oxazolone derivative represented by the following general formula (1), a salt thereof, a solvate thereof, or a hydrate thereof: [wherein, in the formula (1), each of R 1 and R 2 independently represents any one of a substituted or unsubstituted 6-membered or 5-membered heterocyclic group optionally having a condensed ring, a substituted or unsubstituted aromatic hydrocarbon group optionally having a condensed ring, and a substituted or unsubstituted aromatic hydrocarbon lower alkyl group or aromatic hydrocarbon lower alkenyl group optionally having a condensed ring.]

  提供了一种抑制剂，可抑制酪蛋白激酶1δ和酪蛋白激酶1ε，因此还提供了一种用于治疗和/或预防疾病的药物，该疾病的病理条件与酪蛋白激酶1δ或酪蛋白激酶1ε的激活机制相关。特别地，上述描述的抑制剂用于提供一种用于治疗昼夜节律紊乱（包括睡眠障碍）、中枢神经退行性疾病和癌症的药物。一种酪蛋白激酶1δ和酪蛋白激酶1ε的抑制剂，包括以下一般式（1）所表示的噁唑酮衍生物作为活性成分，其盐、溶剂化合物或水合物：[在式（1）中，R1和R2中的每一个独立地表示取代或未取代的6元或5元杂环基，可选择具有缩合环的取代或未取代的芳香烃基，以及取代或未取代的芳香烃基低烷基基团或芳香烃基低烯基基团，可选择具有缩合环。]
• INHIBITOR OF CASEIN KINASE 1DELTA AND CASEIN KINASE 1EPSILON
  申请人：Pharmadesign, Inc.

  公开号：EP2397481A1

  公开（公告）日：2011-12-21

  There is provided an inhibitor that inhibits casein kinase 1δ and casein kinase 1ε, and thus, there is also provided a pharmaceutical agent useful for the treatment and/or prevention of a disease, with the pathological condition of which the mechanism of activation of casein kinase 1δ or casein kinase 1ε is associated. Particularly, the above-described inhibitor is used to provide a pharmaceutical agent useful for the treatment of circadian rhythm disorder (including sleep disorder), central neurodegenerative disease, and cancer. An inhibitor of casein kinase 1δ and casein kinase 1ε, which comprises, as an active ingredient, an oxazolone derivative represented by the following general formula (1), a salt thereof, a solvate thereof, or a hydrate thereof: [wherein, in the formula (1), each of R1 and R2 independently represents any one of a substituted or unsubstituted 6-membered or 5-membered heterocyclic group optionally having a condensed ring, a substituted or unsubstituted aromatic hydrocarbon group optionally having a condensed ring, and a substituted or unsubstituted aromatic hydrocarbon lower alkyl group or aromatic hydrocarbon lower alkenyl group optionally having a condensed ring.]

  本发明提供了一种抑制酪蛋白激酶1δ和酪蛋白激酶1ε的抑制剂，因此还提供了一种用于治疗和/或预防疾病的药剂，该疾病的病理条件与酪蛋白激酶1δ或酪蛋白激酶1ε的激活机制有关。特别是，上述抑制剂可用于提供治疗昼夜节律紊乱（包括睡眠障碍）、中枢神经退行性疾病和癌症的药物制剂。 一种酪蛋白激酶1δ和酪蛋白激酶1ε的抑制剂，其活性成分包括由下通式(1)代表的噁唑酮衍生物、其盐、其溶液或其水合物： [其中，在式 (1) 中，R1 和 R2 各自独立地代表任选具有缩合环的取代或未取代的 6 元或 5 元杂环基团、任选具有缩合环的取代或未取代的芳香烃基团和任选具有缩合环的取代或未取代的芳香烃低级烷基或芳香烃低级烯基中的任一种。］
• US9018238B2
  申请人：——

  公开号：US9018238B2

  公开（公告）日：2015-04-28