5-cyclopropyl-6-azauracil | 56512-22-2

• 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-cyclopropyl-6-azauracil
• 英文别名: 6-Cyclopropyl-1,2,4-triazine-3,5(2h,4h)-dione；6-cyclopropyl-2H-1,2,4-triazine-3,5-dione
• CAS: 56512-22-2
• 化学式: C₆H₇N₃O₂
• 分子量: 153.14
• InChiKey: VIYRYGCIXJVSSW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  70.6
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-cyclopropyl-6-azauracil 在 六甲基二硅氮烷 作用下， 以 氯仿 为溶剂， 反应 4.0h， 生成 5-cyclopropyl-1-(2-deoxy-3,5-di-O-p-toluoyl-β-D-erythro-pentofuranosyl)-6-azauracyl
  参考文献：
  名称：

  The Synthesis of Some 5-Substituted-6-aza-2′-deoxyuridines

  摘要：

  5-(2-Thienyl)-1-(2-deoxy-3,5-di-O-p-toluoyl-beta-D-erythro-pentofuranosyl)-6-azauracil [VIII] and 5-cyclopropyl-1-(2-deoxy-3,5-di-O-p-toluoyl-beta-D-erythro-pentofuranosyl)-6-azauracil [X] were obtained in high yields (93.5% and 81.3% respectively) exclusively as beta anomers, by condensation of the corresponding silylated triazine bases with 2-deoxy-3,5-di-O-p-toluoyl-D-erythro-pentosyl chloride in chloroform. After deblocking both nucleosides with sodium methoxide in methanol, 5-(2-thienyl)-6-aza-2'-deoxyuridine [IX] and 5-cyclopropyl-6-aza-2'-deoxyuridine [XI] were obtained. The nucleoside IX was further acetylated, brominated with Br-2/CCl4 and deblocked with methanolic ammonia to give 6-aza-5[2-(5-bromothienyl)]-2'-deoxyuridine [XIV].

  DOI：

  10.1080/15257779408013233
• 作为产物：
  描述：

  4-((benzyloxy)methyl)-6-cyclopropyl-1,2,4-triazine-3,5(2H,4H)-dione 在 三溴化硼 作用下， 以 二氯甲烷 为溶剂， 以67.9 %的产率得到5-cyclopropyl-6-azauracil
  参考文献：
  名称：

  一种多环类甲状腺激素β受体激动剂及其用途

  摘要：

  本发明涉及一种多环类甲状腺激素β受体激动剂及其用途，具体地涉及一种式(1)所示的化合物或其药学上可接受的盐、包含其的药物组合物、及其制备方法和用途。本发明所述的化合物或药物组合物可以用于制备预防、治疗或减轻由甲状腺激素β受体调节的疾病的药物。

  公开号：

  WO2024169357A1

文献信息

• THRB RECEPTOR AGONIST COMPOUND AND PREPARATION METHOD AND USE THEREOF
  申请人：Terns, Inc.

  公开号：US20200190064A1

  公开（公告）日：2020-06-18

  The present invention discloses a compound represented by the following Formula (I) and a pharmaceutically acceptable salt thereof. The compound improves the THRα selectivity while maintaining good THRβ agonistic activity, thereby improving properties of the finished drug.

  本发明公开了一种由以下化学式（I）表示的化合物及其药用可接受的盐。该化合物在保持良好的THRβ激动活性的同时提高了对THRα的选择性，从而改善了最终药物的性能。
• THRB receptor agonist compound and preparation method and use thereof
  申请人：Terns, Inc.

  公开号：US11034676B2

  公开（公告）日：2021-06-15

  The present invention discloses a compound represented by the following Formula (I) and a pharmaceutically acceptable salt thereof. The compound improves the THRα selectivity while maintaining good THRβ agonistic activity, thereby improving properties of the finished drug.

  本发明公开了一种由下式（I）表示的化合物及其药学上可接受的盐。该化合物提高了 THRα 的选择性，同时保持了良好的 THRβ 激动活性，从而改善了成品药物的性能。
• THRβ receptor agonist compound and preparation method and use thereof
  申请人：Terns, Inc.

  公开号：US11084802B2

  公开（公告）日：2021-08-10

  The present invention discloses a compound represented by the following Formula (I) and a pharmaceutically acceptable salt thereof. The compound improves the THRα selectivity while maintaining good THRβ agonistic activity, thereby improving properties of the finished drug.

  本发明公开了一种由下式（I）表示的化合物及其药学上可接受的盐。该化合物提高了 THRα 的选择性，同时保持了良好的 THRβ 激动活性，从而改善了成品药物的性能。
• THR? RECEPTOR AGONIST COMPOUND AND PREPARATION METHOD AND USE THEREOF
  申请人：Terns, Inc.

  公开号：EP3893889A1

  公开（公告）日：2021-10-20
• [EN] THRΒ RECEPTOR AGONIST COMPOUND AND PREPARATION METHOD AND USE THEREOF<br/>[FR] COMPOSÉ AGONISTE DE RÉCEPTEUR THRB, SON PROCÉDÉ DE PRÉPARATION ET SON UTILISATION
  申请人：TERNS INC

  公开号：WO2020123827A1

  公开（公告）日：2020-06-18

  The present invention discloses a compound represented by the following Formula (I) and a pharmaceutically acceptable salt thereof. The compound improves the THRα selectivity while maintaining good THRβ agonistic activity, thereby improving properties of the finished drug. (I)