3-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-6-ethyl-N-isobutyl-2-methyl-N-(tetrahydro-2H-pyran-4-ylmethyl)pyrazolo[5,1-b][1,3]oxazole-7-amine | 1288960-73-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并吡唑类
• 英文名称: 3-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-6-ethyl-N-isobutyl-2-methyl-N-(tetrahydro-2H-pyran-4-ylmethyl)pyrazolo[5,1-b][1,3]oxazole-7-amine
• 英文别名: 3-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-6-ethyl-2-methyl-N-(2-methylpropyl)-N-(oxan-4-ylmethyl)pyrazolo[5,1-b][1,3]oxazol-7-amine
• CAS: 1288960-73-5
• 化学式: C₂₈H₄₁N₃O₅
• 分子量: 499.651
• InChiKey: BFDUQSGOJIRSHO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  36
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  70.6
• 氢给体数：
  0
• 氢受体数：
  7

文献信息

• PYRAZOLOOXAZOLE COMPOUND
  申请人：SHIN Kogyoku

  公开号：US20110086898A1

  公开（公告）日：2011-04-14

  A compound represented by the formula (I) or pharmacologically acceptable salt thereof exhibits an excellent CRF receptor antagonism. wherein R 1 and R 2 are the same or different and are a hydrogen atom, a C1-6 alkyl group, a cyclic group selected from a C3-6 cycloalkyl group, a tetrahydropyranyl group, a dihydropyranyl group, a tetrahydrofuryl group, a dioxanyl group, a tetrahydrothienyl group, a dithianyl group and a hexahydrothiepinyl group, a C1-6 alkyl group substituted with a cyclic group selected from a C3-6 cycloalkyl group, a tetrahydropyranyl group, a dihydropyranyl group, a tetrahydrofuryl group, a dioxanyl group, a tetrahydrothienyl group, a dithianyl group and a hexahydrothiepinyl group, etc; R 3 , R 4 and R 5 are the same or different and are a hydrogen atom, a C1-6 alkyl group, a C3-6 cycloalkyl group, a C1-6 alkoxy group, a C1-6 alkoxy-C1-6 alkyl group, a C3-6 cycloalkoxy-C1-6 alkyl group or a halogen atom; R 6 is a hydrogen atom or a C1-6 alkyl group; and R 7 is a C1-6 alkyl group, a C1-6 alkoxy group or a C1-6 alkylthio group.

  化合物的分子式为（I）或其药理学上可接受的盐表现出优异的CRF受体拮抗作用。其中R1和R2相同或不同，是氢原子，C1-6烷基，从C3-6环烷基组中选择的环烷基，四氢吡喃基，二氢吡喃基，四氢呋喃基，二氧杂环丙基，四氢噻吩基，二硫杂环基和六氢噻吩基，被C1-6烷基取代的从C3-6环烷基组中选择的环烷基，四氢吡喃基，二氢吡喃基，四氢呋喃基，二氧杂环丙基，四氢噻吩基，二硫杂环基和六氢噻吩基等；R3，R4和R5相同或不同，是氢原子，C1-6烷基，C3-6环烷基，C1-6烷氧基，C1-6烷氧基-C1-6烷基，C3-6环烷氧基-C1-6烷基或卤素原子；R6是氢原子或C1-6烷基；R7是C1-6烷基，C1-6烷氧基或C1-6烷基硫基。
• PYRAZOLOXAZOLE COMPOUND
  申请人：Eisai R&D Management Co., Ltd.

  公开号：EP2487177A1

  公开（公告）日：2012-08-15

  A compound represented by the formula (I) or pharmacologically acceptable salt thereof exhibits an excellent CRF receptor antagonism. wherein R1 and R2 are the same or different and are a hydrogen atom, a C1-6 alkyl group, a cyclic group selected from a C3-6 cycloalkyl group, a tetrahydropyranyl group, a dihydropyranyl group, a tetrahydrofuryl group, a dioxanyl group, a tetrahydrothienyl group, a dithianyl group and a hexahydrothiepinyl group, a C1-6 alkyl group substituted with a cyclic group selected from a C3-6 cycloalkyl group, a tetrahydropyranyl group, a dihydropyranyl group, a tetrahydrofuryl group, a dioxanyl group, a tetrahydrothienyl group, a dithianyl group and a hexahydrothiepinyl group, etc; R3, R4 and R5 are the same or different and are a hydrogen atom, a C1-6 alkyl group, a C3-6 cycloalkyl group, a C1-6 alkoxy group, a C1-6 alkoxy-C1-6 alkyl group, a C3-6 cycloalkoxy-C1-6 alkyl group or a halogen atom; R6 is a hydrogen atom or a C1-6 alkyl group; and R7 is a C1-6 alkyl group, a C1-6 alkoxy group or a C1-6 alkylthio group.

  式 (I) 所代表的化合物或其药理可接受盐具有极佳的 CRF 受体拮抗作用。 其中 R1 和 R2 相同或不同，并且是氢原子、C1-6 烷基、选自 C3-6 环烷基的环基、四氢吡喃基、二氢吡喃基、四氢糠基、二噁烷基、四氢噻吩基、二噻吩基和六氢噻吩基、被环状基团取代的 C1-6 烷基，环状基团选自 C3-6 环烷基、四氢吡喃基、二氢吡喃基、四氢糠基、二氧杂环戊基、四氢噻吩基、二噻吩基和六氢噻吩基等；R3、R4 和 R5 相同或不同，并且是氢原子、C1-6 烷基、C3-6 环烷基、C1-6 烷氧基、C1-6 烷氧基-C1-6 烷基、C3-6 环烷氧基-C1-6 烷基或卤原子；R6 是氢原子或 C1-6 烷基；以及 R7 是 C1-6 烷基、C1-6 烷氧基或 C1-6 烷硫基。