N-(2,2-difluoro-5H-[1,3]dioxolo[4',5':4,5]benzo[1,2-d]imidazol-6-yl)-2-((2,6-dimethoxypyrimidin-4-yl)amino)thiazole-5-carboxamide | 1528742-64-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并间二氧杂环戊烯类
• 英文名称: N-(2,2-difluoro-5H-[1,3]dioxolo[4',5':4,5]benzo[1,2-d]imidazol-6-yl)-2-((2,6-dimethoxypyrimidin-4-yl)amino)thiazole-5-carboxamide
• 英文别名: N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[(2,6-dimethoxypyrimidin-4-yl)amino]-1,3-thiazole-4-carboxamide
• CAS: 1528742-64-4
• 化学式: C₁₈H₁₃F₂N₇O₅S
• 分子量: 477.408
• InChiKey: BFWAYGHJPVLYIE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  33
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  174
• 氢给体数：
  3
• 氢受体数：
  13

文献信息

• BIFLUORODIOXALANE-AMINO-BENZIMIDAZOLE KINASE INHIBITORS FOR THE TREATMENT OF CANCER, AUTOIMMUNEINFLAMMATION AND CNS DISORDERS
  申请人：4SC DISCOVERY GMBH

  公开号：US20170240556A1

  公开（公告）日：2017-08-24

  The invention relates to a compound of the general formula (I) or a physiologically functional derivative, solvate or salt thereof, wherein A is a bond, alkyl or alkoxy optionally substituted with one or more R″ as defined herein, *—N(R′″)CO—, *—CON(R′″)—, *—N(R′″)CON(R′″)—, —S—, —SO—, *—N(R′″)—, *—N(R′″)CO—, *—CON(R′″)—, —CO—, *—COO—, *—OOC—, *—SO 2 N(R′″)—, —SO 2 , or *—N(R′″)—SO 2 —, wherein R′″ is as defined herein and * specifies the point of attachment to X; X is aryl, cycloalkyl, aralkyl, heterocyclyl or heteroaryl, which may be substituted with one or more R X further described herein; L is a bond or *—N(R N )CO—, *—CON(R N )—, *—N(R N )—, *—C═N(R N )—, *—N(R N )-alkyl-, *-alkyl-N(R N )—, *—N(R N )CON(R N )—, *—CO—, *—CO 2 —, alkyl, *-alkyl-O-alkyl-, *—NCO—CH═CH—, *—CH═CH—CONH—, *—SO 2 N(R N )—, *—N(R N )SO 2 —, or heterocyclyl, wherein * specifies the point of attachment to X; Y is H, alkyl, aryl, aralkyl, cycloalkyl, heterocyclyl or heteroaryl, which may be substituted with one or more R Y further described herein; and R and R N are further described herein; as well as their use as a medicament, a pharmaceutical composition comprising them, a method of treatment or prevention of a medical condition entailing the administration thereof, and the use thereof in the manufacture of a medicament for the treatment or prevention of a medical condition, particularly autoimmune inflammatory disorders, CNS disorders, sleeping disorders, or proliferative diseases including cancer. The invention further relates to a specific process for the preparation of said compounds.