1-[4-(propan-2-yl)phenyl]-1H-1,2,3,4-tetrazole-5-thiol

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-[4-(propan-2-yl)phenyl]-1H-1,2,3,4-tetrazole-5-thiol
• 英文别名: 1-(4-propan-2-ylphenyl)-2H-tetrazole-5-thione
• 化学式: C₁₀H₁₂N₄S
• mdl: MFCD06655442
• 分子量: 220.298
• InChiKey: GLESZQGPJXOSSI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  72.1
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(2-氯乙酰胺基)噻唑 、 1-[4-(propan-2-yl)phenyl]-1H-1,2,3,4-tetrazole-5-thiol 在 potassium hydroxide 作用下， 以 乙醇 为溶剂， 反应 5.0h， 以87%的产率得到2-[1-(4-isopropylphenyl)-1H-tetrazol-5-ylsulfanyl]-N-thiazol-2-ylacetamide
  参考文献：
  名称：

  2-(5-Aryltetrazol-2-yl)-和2-(1H-Tetraazol-5-ylsulphanyl)-N-Thiazol-2-ylacetamides 的合成、抗炎特性和分子对接

  摘要：

  摘要—— 通过氯代乙酰氨基噻唑与5-芳基四唑和5-巯基四唑的反应，制备了2-(5-芳基四唑-2-基)-和2-( 1H-四唑-5-基硫烷基) -N-噻唑-2-基乙酰胺。对合成化合物的抗炎特性进行了研究。已鉴定出活性超过参考药物布洛芬的化合物。与环氧合酶-1和环氧合酶-2进行分子对接，结果表明2-[1-(2,5-二甲基苯基) -1H-四唑-5-基硫烷基] -N-噻唑-2-基乙酰胺具有对环氧合酶活性中心的亲和力最高。

  DOI：

  10.1134/s1068162021040051

文献信息

• RHO KINASE INHIBITORS
  申请人：Cook Brian Nicholas

  公开号：US20120165322A1

  公开（公告）日：2012-06-28

  The present invention relates to compounds of formula (I): and pharmaceutically acceptable salts thereof, wherein R 1 and R 2 are as defined herein. The invention also relates to pharmaceutical compositions comprising these compounds, methods of using these compounds in the treatment of various diseases and disorders, processes for preparing these compounds and intermediates useful in these processes.

  本发明涉及式(I)的化合物和其药学上可接受的盐，其中R1和R2的定义如本文所述。本发明还涉及包含这些化合物的药物组合物、使用这些化合物治疗各种疾病和障碍的方法、制备这些化合物的过程以及在这些过程中有用的中间体。
• Prostaglandin receptor EP2 antagonists, derivatives, compositions, and uses related thereto
  申请人：Emory University

  公开号：US10568889B2

  公开（公告）日：2020-02-25

  The disclosure relates to Prostaglandin receptor EP2 antagonists, derivatives, compositions, and methods related thereto. In certain embodiments, the disclosure relates to methods of treating or preventing conditions and diseases in which EP2 receptor activation has a physiological role, such as but not limited to, brain injury, inflammatory diseases, neuroinflamation after a seizure, pain, endometriosis, cancer, rheumatoid arthritis, skin inflammation, vascular inflammation, colitis, and neurological disorders by administering a pharmaceutical composition comprising a compound disclosed herein to a subject in need thereof.

  本公开涉及前列腺素受体EP2拮抗剂、衍生物、组合物及其相关方法。在某些实施方案中，本公开涉及通过向有需要的受试者施用包含本文公开的化合物的药物组合物来治疗或预防 EP2 受体激活具有生理作用的病症和疾病的方法，这些病症和疾病包括但不限于脑损伤、炎症性疾病、癫痫发作后的神经损伤、疼痛、子宫内膜异位症、癌症、类风湿性关节炎、皮肤炎症、血管炎症、结肠炎和神经系统疾病。
• PROSTAGLANDIN RECEPTOR EP2 ANTAGONISTS, DERIVATIVES, COMPOSITIONS, AND USES RELATED THERETO
  申请人：Emory University

  公开号：US20220000883A1

  公开（公告）日：2022-01-06

  The disclosure relates to Prostaglandin receptor EP2 antagonists, derivatives, compositions, and methods related thereto. In certain embodiments, the disclosure relates to methods of treating or preventing conditions and diseases in which EP2 receptor activation has a physiological role, such as but not limited to, brain injury, inflammatory diseases, neuroinflamation after a seizure, pain, endometriosis, cancer, rheumatoid arthritis, skin inflammation, vascular inflammation, colitis, and neurological disorders by administering a pharmaceutical composition comprising a compound disclosed herein to a subject in need thereof.