methyl 1-(2-fluorophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: methyl 1-(2-fluorophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate
• 英文别名: Methyl 1-(2-fluorophenyl)-5-methyl-1,2,3-triazole-4-carboxylate；methyl 1-(2-fluorophenyl)-5-methyltriazole-4-carboxylate
• 化学式: C₁₁H₁₀FN₃O₂
• 分子量: 235.218
• InChiKey: AZWWSMJOYAFNCA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  57
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  methyl 1-(2-fluorophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate 在 水 、 lithium hydroxide 作用下， 以 甲醇 为溶剂， 反应 3.0h， 以96%的产率得到1-(2-氟苯基)-5-甲基三唑-4-羧酸
  参考文献：
  名称：

  PYRROLOPYRIMIDINES AS CFTR POTENTIATORS

  摘要：

  本发明涉及式I的化合物，其中R1a、R1b、R2、R3、R4、W、Y和Z如本文所述，并且其药学上可接受的盐。这些化合物是囊性纤维化跨膜传导调节器（CFTR）的增效剂。本发明还揭示了包括该化合物的药物组合物，可选地与额外治疗剂结合，并通过给予这些化合物来增强哺乳动物（包括人类）CFTR的方法。这些化合物可用于治疗囊性纤维化（CF）、哮喘、支气管扩张、慢性阻塞性肺病（COPD）、便秘、糖尿病、干眼症、胰腺炎、鼻窦炎、Sjögren综合征和其他与CFTR相关的疾病。

  公开号：

  US20180141954A1
• 作为产物：
  描述：

  2-氟苯胺 在 硫酸 、 potassium carbonate 、 三氟乙酸 、 sodium nitrite 作用下， 以 水 、 二甲基亚砜 为溶剂， 反应 16.0h， 生成 methyl 1-(2-fluorophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate
  参考文献：
  名称：

  PYRROLOPYRIMIDINES AS CFTR POTENTIATORS

  摘要：

  本发明涉及式I的化合物，其中R1a、R1b、R2、R3、R4、W、Y和Z如本文所述，并且其药学上可接受的盐。这些化合物是囊性纤维化跨膜传导调节器（CFTR）的增效剂。本发明还揭示了包括该化合物的药物组合物，可选地与额外治疗剂结合，并通过给予这些化合物来增强哺乳动物（包括人类）CFTR的方法。这些化合物可用于治疗囊性纤维化（CF）、哮喘、支气管扩张、慢性阻塞性肺病（COPD）、便秘、糖尿病、干眼症、胰腺炎、鼻窦炎、Sjögren综合征和其他与CFTR相关的疾病。

  公开号：

  US20180141954A1

文献信息

• Pyrrolopyrimidines as CFTR potentiators
  申请人：CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

  公开号：US10301315B2

  公开（公告）日：2019-05-28

  The present invention relates to compounds of Formula I, wherein R1a, R1b, R2, R3, R4, W, Y, and Z are as described herein, and pharmaceutically acceptable salts thereof. The compounds are potentiators of Cystic Fibrosis Transmembrane conductance Regulator (CFTR). The invention also discloses pharmaceutical compositions comprising the compound, optionally in combination with additional therapeutic agents, and methods of potentiating, in mammals, including humans, CFTR by administration of the compounds. These compounds are useful for the treatment of cystic fibrosis (CF), asthma, bronchiectasis, chronic obstructive pulmonary disease (COPD), constipation, Diabetes mellitus, dry eye disease, pancreatitis, rhinosinusitis, Sjögren's Syndrome, and other CFTR associated disorders.

  本发明涉及式 I 的化合物、 其中 R1a、R1b、R2、R3、R4、W、Y 和 Z 如本文所述，及其药学上可接受的盐。这些化合物是囊性纤维化跨膜传导调节器（CFTR）的增效剂。本发明还公开了包含该化合物的药物组合物（可选择与其他治疗剂组合），以及通过施用该化合物在哺乳动物（包括人类）体内增效 CFTR 的方法。这些化合物可用于治疗囊性纤维化 (CF)、哮喘、支气管扩张、慢性阻塞性肺病 (COPD)、便秘、糖尿病、干眼症、胰腺炎、鼻炎、Sjögren 综合征和其他 CFTR 相关疾病。
• Pyrrolopyrimidines as CFTR Potentiators
  申请人：Cystic Fibrosis Foundation

  公开号：US20210171534A1

  公开（公告）日：2021-06-10

  The present invention relates to methods of using compounds of Formula I, wherein R 1a , R 1b , R 2 , R 3 , R 4 , W, Y, and Z are as described herein, and pharmaceutically acceptable salts thereof. The compounds are potentiators of Cystic Fibrosis Transmembrane conductance Regulator (CFTR). The invention also discloses pharmaceutical compositions comprising the compound, optionally in combination with additional therapeutic agents, and methods of potentiating, in mammals, including humans, CFTR by administration of the compounds. These compounds are useful for the treatment of cystic fibrosis (CF), asthma, bronchiectasis, chronic obstructive pulmonary disease (COPD), constipation, Diabetes mellitus, dry eye disease, pancreatitis, rhinosinusitis, Sjögren's Syndrome, and other CFTR associated disorders.
• [EN] PYRROLOPYRIMIDINES AS CFTR POTENTIATORS<br/>[FR] PYRROLOPYRIMIDINES UTILISÉES COMME POTENTIALISATEURS DE CFTR
  申请人：CYSTIC FIBROSIS FOUND THERAPEUTICS INC

  公开号：WO2018094137A1

  公开（公告）日：2018-05-24

  The present invention relates to compounds of Formula (I), wherein R1 a, R1 b, R2, R3, R4, W, Y, and Z are as described herein, and pharmaceutically acceptable salts thereof. The compounds are potentiators of Cystic Fibrosis Transmembrane conductance Regulator (CFTR). The invention also discloses pharmaceutical compositions comprising the compound, optionally in combination with additional therapeutic agents, and methods of potentiating, in mammals, including humans, CFTR by administration of the compounds. These compounds are useful for the treatment of cystic fibrosis (CF), asthma, bronchiectasis, chronic obstructive pulmonary disease (COPD), constipation, Diabetes mellitus, dry eye disease, pancreatitis, rhinosinusitis, Sjogren's Syndrome, and other CFTR associated disorders.
• PYRROLOPYRIMIDINES AS CFTR POTENTIATORS
  申请人：CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

  公开号：US20180141954A1

  公开（公告）日：2018-05-24

  The present invention relates to compounds of Formula I, wherein R 1a , R 1b , R 2 , R 3 , R 4 , W, Y, and Z are as described herein, and pharmaceutically acceptable salts thereof. The compounds are potentiators of Cystic Fibrosis Transmembrane conductance Regulator (CFTR). The invention also discloses pharmaceutical compositions comprising the compound, optionally in combination with additional therapeutic agents, and methods of potentiating, in mammals, including humans, CFTR by administration of the compounds. These compounds are useful for the treatment of cystic fibrosis (CF), asthma, bronchiectasis, chronic obstructive pulmonary disease (COPD), constipation, Diabetes mellitus, dry eye disease, pancreatitis, rhinosinusitis, Sjögren's Syndrome, and other CFTR associated disorders.

  本发明涉及式I的化合物，其中R1a、R1b、R2、R3、R4、W、Y和Z如本文所述，并且其药学上可接受的盐。这些化合物是囊性纤维化跨膜传导调节器（CFTR）的增效剂。本发明还揭示了包括该化合物的药物组合物，可选地与额外治疗剂结合，并通过给予这些化合物来增强哺乳动物（包括人类）CFTR的方法。这些化合物可用于治疗囊性纤维化（CF）、哮喘、支气管扩张、慢性阻塞性肺病（COPD）、便秘、糖尿病、干眼症、胰腺炎、鼻窦炎、Sjögren综合征和其他与CFTR相关的疾病。