2-(4-chloro-7-methoxy-8-methylquinolin-2-yl)-4-cyclopropylthiazole | 1237745-88-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 2-(4-chloro-7-methoxy-8-methylquinolin-2-yl)-4-cyclopropylthiazole
• 英文别名: 2-(4-chloro-7-methoxy-8-methylquinolin-2-yl)-4-cyclopropyl-1,3-thiazole
• CAS: 1237745-88-8
• 化学式: C₁₇H₁₅ClN₂OS
• 分子量: 330.838
• InChiKey: SOYDZICGPIIJGZ-UHFFFAOYSA-N

物化性质

• 沸点：
  510.6±60.0 °C(Predicted)
• 密度：
  1.350±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  63.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(4-chloro-7-methoxy-8-methylquinolin-2-yl)-4-cyclopropylthiazole 在 盐酸 、 potassium tert-butylate 、 N,N-二异丙基乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下， 以 1,4-二氧六环 、 二甲基亚砜 、 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 生成
  参考文献：
  名称：

  Synthesis and antiviral activity of novel HCV NS3 protease inhibitors with P4 capping groups

  摘要：

  We have synthesized and evaluated a series of novel HCV NS3 protease inhibitors with various P4 capping groups, which include urea, carbamate, methoxy-carboxamide, cyclic carbamate and amide, pyruvic amide, oxamate, oxalamide and cyanoguanidine. Most of these compounds are remarkably potent, exhibiting single-digit to sub-nanomolar activity in the enzyme assay and cell-based replicon assay. Selected compounds were also evaluated in the protease-inhibitor-resistant mutant transient replicon assay, and they were found to show quite different potency profiles against a panel of HCV protease-inhibitor-resistant mutants. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.10.075
• 作为产物：
  描述：

  N-(6-acetyl-3-methoxy-2-methylphenyl)-4-cyclopropylthiazole-2-carboxamide 在 吡啶 、 potassium hydroxide 、 三氯氧磷 作用下， 反应 4.0h， 生成 2-(4-chloro-7-methoxy-8-methylquinolin-2-yl)-4-cyclopropylthiazole
  参考文献：
  名称：

  Synthesis and antiviral activity of novel HCV NS3 protease inhibitors with P4 capping groups

  摘要：

  We have synthesized and evaluated a series of novel HCV NS3 protease inhibitors with various P4 capping groups, which include urea, carbamate, methoxy-carboxamide, cyclic carbamate and amide, pyruvic amide, oxamate, oxalamide and cyanoguanidine. Most of these compounds are remarkably potent, exhibiting single-digit to sub-nanomolar activity in the enzyme assay and cell-based replicon assay. Selected compounds were also evaluated in the protease-inhibitor-resistant mutant transient replicon assay, and they were found to show quite different potency profiles against a panel of HCV protease-inhibitor-resistant mutants. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.10.075

文献信息

• COMPOUNDS
  申请人：COOPER JOEL

  公开号：US20100196321A1

  公开（公告）日：2010-08-05

  The present invention features compounds of Formula (I) and (Ia), pharmaceutical compositions and use in the treatment of viral disease:

  这项发明涉及Formula (I)和(Ia)的化合物，药物组合物以及在治疗病毒性疾病中的应用。
• [EN] COMPOUNDS<br/>[FR] COMPOSÉS
  申请人：GLAXOSMITHKLINE LLC

  公开号：WO2010088394A1

  公开（公告）日：2010-08-05

  The present invention features compounds of Formula (I) and (Ia), pharmaceutical compositions and use in the treatment of viral disease.
• [EN] HCV INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF<br/>[FR] COMPOSÉS INHIBITEURS DU VIRUS DE L'HÉPATITE C (HCV) ET LEURS PROCÉDÉS D'UTILISATION
  申请人：ANACOR PHARMACEUTICALS INC

  公开号：WO2011150190A2

  公开（公告）日：2011-12-01

  The present invention features compounds of Formula (I), (II) and (III), pharmaceutical compositions and use in the treatment of viral disease: