N-(2,3-difluorophenyl)-7-(pyrimidin-4-ylthio)-2,1,3-benzoxadiazole-4-sulfonamide | 871511-86-3

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: N-(2,3-difluorophenyl)-7-(pyrimidin-4-ylthio)-2,1,3-benzoxadiazole-4-sulfonamide
• 英文别名: N-(2,3-difluorophenyl)-7-pyrimidin-4-ylsulfanyl-2,1,3-benzoxadiazole-4-sulfonamide
• CAS: 871511-86-3
• 化学式: C₁₆H₉F₂N₅O₃S₂
• 分子量: 421.408
• InChiKey: ULXKGLUCVLESKR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  28
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  145
• 氢给体数：
  1
• 氢受体数：
  11

文献信息

• Ubiquitin ligase inhibitors
  申请人：Ramesh Usha

  公开号：US20050282818A1

  公开（公告）日：2005-12-22

  This invention describes compounds and pharmaceutical compositions useful as ubiquitin agent inhibitors, particularly ubiquitin ligase inhibitors. The compounds and pharmaceutical compositions of the invention are useful as inhibitors of the biochemical pathways of organisms in which ubiquitination is involved, such as signal transduction pathways. The invention also comprises the use of the compounds and pharmaceutical compositions of the invention for the treatment of conditions that require inhibition of ubiquitination. Furthermore, the invention comprises methods of inhibiting ubiquitination in a cell comprising contacting a cell in which inhibition of ubiquitination is desired with a compound or pharmaceutical composition according to the invention. Particularly, the compounds and pharmaceutical compositions are useful to inhibit the ubiquitin ligase activity of TRAF6.

  本发明描述了化合物和药物组合物，可用作泛素代理抑制剂，特别是泛素连接酶抑制剂。本发明的化合物和药物组合物可用作生物体中涉及泛素化的生物化学途径的抑制剂，例如信号转导途径。本发明还包括使用本发明的化合物和药物组合物治疗需要抑制泛素化的疾病的方法。此外，本发明还包括抑制细胞中泛素化的方法，其中包括将希望抑制泛素化的细胞与本发明的化合物或药物组合物接触。特别地，这些化合物和药物组合物可用于抑制TRAF6的泛素连接酶活性。
• Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses
  申请人：Kimura Tomio

  公开号：US20050283006A1

  公开（公告）日：2005-12-22

  Compounds having activity against production of inflammatory cytokines of formula (I)′: A′ is pyrrole; R 1′ is aryl or heteroaryl; R 2′ is heteroaryl having at least one nitrogen atom; R 3′ is (IIa)′, (IIb)′ or (IIc)′: m′ is 1 or 2; one of D′ and E′ is nitrogen and the other is >C(R 5′ )—, R 5′ is hydrogen, Substituent α′ or Substituent β′; B′ is nitrogen-containing 4- to 7-membered heterocyclic; R 4′ is 1 to 3 substituents from Substituent α′, Substituent β′ and Substituent γ′; R 1′ and R 3′ are bonded to two atoms of the pyrrole adjacent to the pyrrole atom bonded to R 2′ ; Substituent α′: hydroxyl, nitro, cyano, halogen, alkoxy, halogeno alkoxy, alkylthio, halogeno alkylthio or —NR a′ R b′ ; R a′ and R b′ are hydrogen, alkyl, alkenyl, alkynyl, aralkyl or alkylsulfonyl, or R a′ and R b′ with the nitrogen atom form a heterocyclyl; Substituent β′: alkyl, alkenyl, alkynyl, aralkyl or cycloalkyl; Substituent γ′: oxo, hydroxyimino, alkoxyimino, alkylene, alkylenedioxy, alkylsulfinyl, alkylsulfonyl, aryl, aryloxy, alkylidenyl or aralkylidenyl.

  化合物公式（I）'对抗炎性细胞因子产生的活性：A'为吡咯；R1'为芳基或杂芳基；R2'为至少含有一个氮原子的杂芳基；R3'为（IIa）'，（IIb）'或（IIc）'；m'为1或2；D'和E'中的一个为氮，另一个为>C（R5'）-，R5'为氢，取代基α'或取代基β'；B'为含氮的4-至7-成员杂环；R4'为取代基α'，取代基β'和取代基γ'中的1至3个取代基；R1'和R3'与相邻于与R2'结合的吡咯原子相邻的两个吡咯原子结合；取代基α'：羟基，硝基，氰基，卤素基，烷氧基，卤代烷氧基，烷基硫基，卤代烷基硫基或-NRa' Rb'；Ra'和Rb'为氢，烷基，烯基，炔基，芳基烷基或烷基磺酰基，或Ra'和Rb'与氮原子形成杂环基；取代基β'：烷基，烯基，炔基，芳基烷基或环烷基；取代基γ'：羰基，羟肟基，烷氧肟基，烷基，烷二氧基基，烷基亚磺酰基，烷基磺酰基，芳基，芳基氧基，烷基亚甲基或芳基亚甲基。