1-(benzofuran-3-ylmethyl)-3-[5-(trifluoromethyl)thiazol-2-yl]urea | 2254826-29-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 英文名称: 1-(benzofuran-3-ylmethyl)-3-[5-(trifluoromethyl)thiazol-2-yl]urea
• 英文别名: 1-[(1-Benzofuran-3-yl)methyl]-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]urea；1-(1-benzofuran-3-ylmethyl)-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]urea
• CAS: 2254826-29-2
• 化学式: C₁₄H₁₀F₃N₃O₂S
• 分子量: 341.314
• InChiKey: YKMXEVLTZPDMGQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  95.4
• 氢给体数：
  2
• 氢受体数：
  7

文献信息

• BENZOFURAN UREAS OR CARBAMATES AND HETEROAROMATIC ANALOGUES THEREOF FOR USE IN THERAPY
  申请人：European Molecular Biology Laboratory

  公开号：US20200216434A1

  公开（公告）日：2020-07-09

  The present invention relates to benzofuran ureas or carbamates of formula I and heteroaromatic analogues thereof as described below or a tautomer or a pharmaceutically acceptable salt thereof; to a pharmaceutical composition containing these compounds, and to these compounds for use in therapy, especially for use in the treatment or prevention of a disease or disorder selected from the group consisting of an inflammatory disease, a hyperproliferative disease or disorder, a hypoxia-related pathology and a disease characterized by excessive vascularization. Formula (I) wherein X 1 is CR 1 or N; X 2 is CR 2 or N; X 3 is CR 3 or N; X 4 is CR 4 or N; with the proviso that at most two of X 1 , X 2 , X 3 and X 4 are N; E 1 is O or NR 6a ; E 2 is O or NR 6b ; with the proviso that E and E 2 are not simultaneously O; L 1 is a bond, optionally substituted C 1 -C 6 -alkylene or C 3 -C 8 -cycloalkylene; L 2 is a bond, optionally substituted C 1 -C 6 -alkylene, C 3 -C 8 -cycloalkylene, etc.; A is 3-, 4-, 5-, 6-, 7- or 8-membered saturated, partially unsaturated or maximally unsaturated carbocyclic ring or a 3-, 4-, 5-, 6-, 7- or 8-membered saturated, partially unsaturated or maximally unsaturated heterocyclic ring; or L 2 -A forms a group C 1 -C 6 -alkylene-OR 13 , C 1 -C 6 -alkylene-SR 14 or C 1 -C 6 -alkylene-NR 15 R 16 ; and R 1 , R 2 , R 3 , R 4 , R 5 , R 6a , R 6b , R 13 , R 14 , R 15 and R 16 are as defined in the claims and the description.