3-bromo-2-[[3,5-dimethyl-1-(2-pyridinyl)-1H-pyrazol-4-yl]hydroxymethyl]-7-(1-methylethyl)-5-methyl-thieno[2,3-d]pyridazin-4(5H)-one | 733745-81-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩并嘧啶酮衍生物
• 英文名称: 3-bromo-2-[[3,5-dimethyl-1-(2-pyridinyl)-1H-pyrazol-4-yl]hydroxymethyl]-7-(1-methylethyl)-5-methyl-thieno[2,3-d]pyridazin-4(5H)-one
• 英文别名: 3-Bromo-2-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-hydroxymethyl]-5-methyl-7-propan-2-ylthieno[2,3-d]pyridazin-4-one
• CAS: 733745-81-8
• 化学式: C₂₁H₂₂BrN₅O₂S
• 分子量: 488.408
• InChiKey: WMZLLMRIYHSKKJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  30
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  112
• 氢给体数：
  1
• 氢受体数：
  6

文献信息

• Novel compounds
  申请人：Cooper Edward Martin

  公开号：US20060223809A1

  公开（公告）日：2006-10-05

  The invention relates to thienopyridazinones of formula (I): wherein: R 1 is C 1-6 alkyl, C 2-6 alkenyl or C 3-6 cycloalkyl which is optionally substituted by C 1-6 alkyl, each of the above being optionally substituted by one or more halogen atoms; R 2 is C 1-6 alkyl; R 3 is a group CO-G or SO 2 -G where G is a 5- or 6-membered ring containing a nitrogen atom and a second heteroatom selected from oxygen and sulphur adjacent to the nitrogen, and optionally substituted by up to 3 groups selected from hydroxyl and C 1-4 alkyl; Q is CR 5 R 6 where R 5 and R 6 are as defined in the specification; and R 4 is a 5- to 10-membered mono- or bi-cyclic aromatic ring system, containing 0 to 4 heteroatoms independently selected from nitrogen, oxygen and sulphur, the ring system being optionally substituted as described in the specification, and pharmaceutically acceptable salts and solvates thereof. Processes for their preparation, pharmaceutical compositions containing them and their use in therapy, in particular in the modulation of autoimmune disease are also described.

  本发明涉及式(I)的噻吩并吡嗪酮：其中：R1是C1-6烷基，C2-6烯基或C3-6环烷基，可选地被C1-6烷基取代，上述每种基团可选地被一个或多个卤素原子取代；R2是C1-6烷基；R3是一个CO-G或SO2-G基团，其中G是一个含有氮原子和第二个异原子，所述异原子选自氧和硫的5-或6-成员环，并可选地被最多3个羟基和C1-4烷基中的一种或多种基团取代；Q是CR5R6，其中R5和R6如说明书中定义；R4是一个5-到10-成员的单环或双环芳香环系统，独立地选自氮、氧和硫，该环系统可选地被如说明书中所述取代，以及其药学上可接受的盐和溶剂化合物。还描述了它们的制备过程、含有它们的制药组合物以及它们在治疗中的使用，特别是在自身免疫性疾病的调节中的使用。
• THIENOPYRIDAZINONE DERIVATIVE AS MODULATORS OF AUTOIMMUNE DISEASES
  申请人：AstraZeneca AB

  公开号：EP1587809B1

  公开（公告）日：2007-10-10
• US7064126B2
  申请人：——

  公开号：US7064126B2

  公开（公告）日：2006-06-20