Methyl 6-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-1-methylbenzotriazole-4-carboxylate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: Methyl 6-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-1-methylbenzotriazole-4-carboxylate
• 英文别名: methyl 6-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-1-methylbenzotriazole-4-carboxylate
• 化学式: C₂₁H₂₀N₄O₂
• 分子量: 360.4
• InChiKey: QDDBDAUJQRBCEH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  61.9
• 氢给体数：
  0
• 氢受体数：
  4

文献信息

• Trisubstituted Benzotriazole Derivatives as Dihydroorotate Oxygenase Inhibitors
  申请人：AURIGENE DISCOVERY TECHNOLOGIES LIMITED

  公开号：US20160200693A1

  公开（公告）日：2016-07-14

  The present invention provides trisubstituted benzotriazole derivatives as dihydroorotate oxygenase inhibitor compounds of formula (I), which may be therapeutically useful as DHODH inhibitors. wherein, R 1 , R 2 and R 3 have the meanings given in the specification, and pharmaceutically acceptable salts thereof that are useful in the treatment and prevention in diseases or disorder, in particular their use in diseases or disorder where there is an advantage in inhibiting DHODH. The present invention also provides methods for synthesizing trisubstituted benzotriazole derivatives of formula (I). The present invention also provides pharmaceutical formulations comprising at least one of the DHODH inhibitor compound of formula (I) together with a pharmaceutically acceptable carrier, diluent or excipient.

  本发明提供了三取代苯并三唑衍生物作为二氢乳酸脱氢酶氧化酶抑制剂化合物的公式（I），其可能在治疗和预防疾病或紊乱方面具有治疗用途，特别是在抑制DHODH方面具有优势的疾病或紊乱中使用。其中，R1，R2和R3在规范中给出了含义，以及其药学上可接受的盐。本发明还提供了合成公式（I）的三取代苯并三唑衍生物的方法。本发明还提供了包含公式（I）的DHODH抑制剂化合物之一的药物制剂，以及药学上可接受的载体，稀释剂或赋形剂。
• Methods of use for trisubstituted benzotriazole derivatives as dihydroorotate oxygenase inhibitors
  申请人：Aurigene Discovery Technologies Limited

  公开号：US11147801B2

  公开（公告）日：2021-10-19

  The present invention provides methods for treating a cancer in a subject and for inhibiting tumor growth, metastasis or a dihydrorotate oxygenase enzyme activity of a tumor or cancer cell. At least one trisubstituted benzotriazole derivative with the formula (I) is administered to the subject or is contacted with the cancer cell. Compounds of formula (I) have substituents R1, R2 and R3 which have the meanings given in the specification, and pharmaceutically acceptable salts thereof.

  本发明提供了治疗受试者癌症和抑制肿瘤生长、转移或肿瘤或癌细胞的二氢氧合酶活性的方法。向受试者施用至少一种式（I）的三取代苯并三唑衍生物或与癌细胞接触。式(I)化合物的取代基R1、R2和R3具有说明书中给出的含义，及其药学上可接受的盐类。
• Methods of Use for Trisubstituted Benzotriazole Derivatives as Dihydroorotate Oxygenase Inhibitors
  申请人：Aurigene Discovery Technologies Limited

  公开号：US20170224663A1

  公开（公告）日：2017-08-10

  The present invention provides methods for treating a cancer in a subject and for inhibiting tumor growth, metastasis or a dihydrorotate oxygenase enzyme activity of a tumor or cancer cell. At least one trisubstituted benzotriazole derivative with the formula (I) is administered to the subject or is contacted with the cancer cell. Compounds of formula (I) have substituents R 1 , R 2 and R 3 which have the meanings given in the specification, and pharmaceutically acceptable salts thereof.
• TRISUBSTITUTED BENZOTRIAZOLE DERIVATIVES AS DIHYDROOROTATE OXYGENASE INHIBITORS
  申请人：AURIGENE DISCOVERY TECHNOLOGIES LIMITED

  公开号：US20180021311A1

  公开（公告）日：2018-01-25

  The present invention provides methods for treating a cancer in a subject and for inhibiting tumor growth, metastasis or a dihydrorotate oxygenase enzyme activity of a tumor or cancer cell. At least one trisubstituted benzotriazole derivative with the formula (I) is administered to the subject or is contacted with the cancer cell. Compounds of formula (I) have substituents R 1 , R 2 and R 3 which have the meanings given in the specification, and pharmaceutically acceptable salts thereof.
• US9630932B2
  申请人：——

  公开号：US9630932B2

  公开（公告）日：2017-04-25