4-oxo-3H,4H-thieno[2,3-d]pyrimidine-5-carboxamide | 1801143-25-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩并嘧啶酮衍生物
• 英文名称: 4-oxo-3H,4H-thieno[2,3-d]pyrimidine-5-carboxamide
• 英文别名: 4-Hydroxythieno[2,3-d]pyrimidine-5-carboxamide；4-oxo-3H-thieno[2,3-d]pyrimidine-5-carboxamide
• CAS: 1801143-25-8
• 化学式: C₇H₅N₃O₂S
• 分子量: 195.202
• InChiKey: CENLVQSIEROTNB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  113
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  4-oxo-3H,4H-thieno[2,3-d]pyrimidine-5-carboxamide 在 三氟乙酸酐 作用下， 以 吡啶 为溶剂， 反应 4.0h， 以55.1%的产率得到5-cyanothieno[2,3-d]pyrimidin-4-one
  参考文献：
  名称：

  A practical synthesis of 5-functionalized thieno[2,3-d]pyrimidines

  摘要：

  The synthesis of 5-hydroxymethyl-, 5-acetoxymethyl-, 5-formyl- and 5-cyanothieno[2,3-d]pyrimidines, the (methyl)-5-carboxylate, and the respective amide functionality was accomplished by building up the functionalized molecule starting from appropriately substituted thiophene precursors. A similar strategy starting from the pyrimidine precursor and subsequent direct functionalization (formylation and cyanation) of the thieno[2,3-d]pyrimidine parent compound in position 5 was found to be less feasible. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2015.05.104
• 作为产物：
  描述：

  2-氨基-3,4-噻吩二羧酸二乙酯 在 氨 、 calcium chloride 作用下， 以 甲醇 、 乙醇 为溶剂， 反应 36.0h， 生成 4-oxo-3H,4H-thieno[2,3-d]pyrimidine-5-carboxamide
  参考文献：
  名称：

  [EN] 3H,4H-THIENO[2,3-d]PYRIMIDIN-4-ONE DERIVATIVES AS TRPA1 INHIBITORS
  [FR] DÉRIVÉS 3H, 4H-THIÉNO [2,3-D] PYRIMIDIN-4-ONE EN TANT QU'INHIBITEURS DE TRPA1

  摘要：

  本公开提供了某些3H、4H-噻吩[2,3-d]嘧啶-4-酮衍生物，它们是瞬时受体电位ANKYRIN 1（TRPA1）的抑制剂，因此可用于治疗可通过抑制TRPA1治疗的疾病。还提供了含有相同化合物的制药组合物以及制备这些化合物的方法。

  公开号：

  WO2022219014A1

文献信息

• TETRAZOLE DERIVATIVES AS TRPA1 INHIBITORS
  申请人：Boehringer Ingelheim International GmbH

  公开号：US20220112210A1

  公开（公告）日：2022-04-14

  The present disclosure provides certain tetrazole derivatives that are inhibitors of transient receptor potential ankyrin 1 (TRPA1), and are therefore useful for the treatment of diseases treatable by inhibition of TRPA1. Also provided are pharmaceutical compositions containing the same, and processes for preparing said compounds.

  本公开提供了某些四唑衍生物，它们是瞬时受体电位蛋白ANKYRIN 1（TRPA1）的抑制剂，因此可用于治疗可通过抑制TRPA1治疗的疾病。还提供了包含相同化合物的药物组合物以及制备该化合物的过程。
• 3H,4H-THIENO[2,3-D]PYRIMIDIN-4-ONE DERIVATIVES AS TRPA1 INHIBITORS
  申请人：Boehringer Ingelheim International GmbH

  公开号：US20220340590A1

  公开（公告）日：2022-10-27

  The present disclosure provides certain 3H,4H-thieno[2,3-d]pyrimidin-4-one derivatives that are inhibitors of transient receptor potential ankyrin 1 (TRPA1), and are therefore useful for the treatment of diseases treatable by inhibition of TRPA1. Also provided are pharmaceutical compositions containing the same, and processes for preparing said compounds.
• [EN] TETRAZOLE DERIVATIVES AS TRPA1 INHIBITORS<br/>[FR] DÉRIVÉS DE TÉTRAZOLE EN TANT QU'INHIBITEURS DE TRPA1
  申请人：[en]BOEHRINGER INGELHEIM INTERNATIONAL GMBH

  公开号：WO2022079091A1

  公开（公告）日：2022-04-21

  The present disclosure provides certain tetrazole derivatives that are inhibitors of transient receptor potential ankyrin 1 (TRPA1), and are therefore useful for the treatment of diseases treatable by inhibition of TRPA1. Also provided are pharmaceutical compositions containing the same, and processes for preparing said compounds.