5-(2-cyclobutylethyl)-1,3,4-thiadiazol-2-amine | 1391063-13-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-(2-cyclobutylethyl)-1,3,4-thiadiazol-2-amine
• CAS: 1391063-13-0
• 化学式: C₈H₁₃N₃S
• 分子量: 183.277
• InChiKey: GHWVCFCUADCGFS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  80
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5-(2-cyclobutylethyl)-1,3,4-thiadiazol-2-amine 、 2'-chloro-5'-methoxy-6-methyl-[4,4'-bipyridine]-3-carboxylic acid 在 N-甲基咪唑 、 N,N,N',N'-tetramethylchloroformamidinium hexafluorophosphate 作用下， 以 乙腈 为溶剂， 以26 %的产率得到2'-chloro-N-(5-(2-cyclobutylethyl)-1,3,4-thiadiazol-2-yl)-5'-methoxy-6-methyl-4,4'-bipyridine-3-carboxamide
  参考文献：
  名称：

  [EN] THIADIAZOLYL COMPOUNDS AS DNA POLYMERASE THETA INHIBITORS
  [FR] COMPOSÉS THIADIAZOLYLES UTILISÉS COMME INHIBITEURS DE L'ADN POLYMÉRASE THÊTA

  摘要：

  Disclosed herein are certain thiadiazolyl derivatives Formula (I): (I) that inhibit DNA Polymerase Theta (Polθ) activity, in particular inhibit Polθ activity by inhibiting ATP dependent helicase domain activity of Polθ. Also, disclosed are pharmaceutical compositions comprising such compounds and methods of treating and/or preventing diseases treatable by inhibition of Polθ such as cancer, including homologous recombination (HR) deficient cancers.

  公开号：

  WO2023067515A1
• 作为产物：
  描述：

  3-环丁基丙酸 、 氨基硫脲 在 三氯氧磷 作用下， 以 1,4-二氧六环 为溶剂， 生成 5-(2-cyclobutylethyl)-1,3,4-thiadiazol-2-amine
  参考文献：
  名称：

  [EN] THIADIAZOLYL COMPOUNDS AS DNA POLYMERASE THETA INHIBITORS
  [FR] COMPOSÉS THIADIAZOLYLES UTILISÉS COMME INHIBITEURS DE L'ADN POLYMÉRASE THÊTA

  摘要：

  Disclosed herein are certain thiadiazolyl derivatives Formula (I): (I) that inhibit DNA Polymerase Theta (Polθ) activity, in particular inhibit Polθ activity by inhibiting ATP dependent helicase domain activity of Polθ. Also, disclosed are pharmaceutical compositions comprising such compounds and methods of treating and/or preventing diseases treatable by inhibition of Polθ such as cancer, including homologous recombination (HR) deficient cancers.

  公开号：

  WO2023067515A1

文献信息

• Thiadiazoles as new inhibitors of diacylglycerol acyltransferase type 1
  作者：Patrick Mougenot、Claudie Namane、Eykmar Fett、Florence Camy、Rommel Dadji-Faïhun、Gwladys Langot、Catherine Monseau、Bénédicte Onofri、François Pacquet、Cécile Pascal、Olivier Crespin、Majdi Ben-Hassine、Jean-Luc Ragot、Thao Van-Pham、Christophe Philippo、Florence Chatelain-Egger、Philippe Péron、Jean-Christophe Le Bail、Etienne Guillot、Philippe Chamiot-Clerc、Marie-Aude Chabanaud、Marie-Pierre Pruniaux、Friedemann Schmidt、Olivier Venier、Eric Nicolaï、Fabrice Viviani

  DOI：10.1016/j.bmcl.2012.02.006

  日期：2012.4

  A novel class of DGAT1 inhibitors containing a thiadiazole core has been discovered. Chemical optimization lead to inhibitors of human DGAT1 with an appropriate ADME profile and that show in vivo activity in target tissues. (C) 2012 Elsevier Ltd. All rights reserved.