3-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-6-ethoxy-N-propyl-N-(tetrahydro-2H-pyran-4-ylmethyl)pyrazolo[5,1-b][1,3]thiazole-7-amine | 1290127-42-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: 3-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-6-ethoxy-N-propyl-N-(tetrahydro-2H-pyran-4-ylmethyl)pyrazolo[5,1-b][1,3]thiazole-7-amine
• 英文别名: 3-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-6-ethoxy-N-(oxan-4-ylmethyl)-N-propylpyrazolo[5,1-b][1,3]thiazol-7-amine
• CAS: 1290127-42-2
• 化学式: C₂₆H₃₇N₃O₅S
• 分子量: 503.663
• InChiKey: IADKRJVSWWNLES-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  35
• 可旋转键数：
  12
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  94.9
• 氢给体数：
  0
• 氢受体数：
  8

文献信息

• PYRAZOLOTHIAZOLE COMPOUND
  申请人：SHIN Kogyoku

  公开号：US20110086882A1

  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 X is a nitrogen atom or CH; R 1 is -A 11 -A 12 ; A 11 is a single bond or a C1-6 alkylene group; A 12 is a hydrogen atom, a C1-6 alkyl group or a C3-6 cycloalkyl group, etc.; R 2 is -A 21 -A 22 ; A 21 is a single bond or a C1-6 alkylene group; A 22 is a hydrogen atom, a C1-6 alkyl group, a C3-6 cycloalkyl group, a non-aromatic heterocyclic group, or a heteroaryl group, etc.; R 3 is a C1-6 alkyl group, a C3-6 cycloalkyl group, a C1-6 alkoxy group, a C3-6 cycloalkoxy C1-6 alkyl group, di-C1-6 alkyl amino group, a halogen atom, a cyano group, a formyl group, or a carboxyl group, etc; R 4 is a hydrogen atom or a C1-6 alkoxy group; R 5 is a halogen atom, a C1-6 alkyl group, or a C1-6 alkoxy group; R 6 is a hydrogen atom, a C1-6 alkyl group, a C1-6 alkoxy group, a C1-6 alkylthio group, or a C1-6 alkyl sulfinyl group etc.; 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X是氮原子或CH；R1是-A11-A12；A11是一个单键或C1-6烷基链；A12是氢原子、C1-6烷基或C3-6环烷基等；R2是-A21-A22；A21是一个单键或C1-6烷基链；A22是氢原子、C1-6烷基、C3-6环烷基、非芳香杂环基或杂芳基等；R3是C1-6烷基、C3-6环烷基、C1-6烷氧基、C3-6环烷氧基C1-6烷基、二C1-6烷基氨基、卤素原子、氰基、甲酰基或羧基等；R4是氢原子或C1-6烷氧基；R5是卤素原子、C1-6烷基或C1-6烷氧基；R6是氢原子、C1-6烷基、C1-6烷氧基、C1-6烷基硫基或C1-6烷基亚砜基等；R7是C1-6烷基、C1-6烷氧基或C1-6烷基硫基。
• US8530504B2
  申请人：——

  公开号：US8530504B2

  公开（公告）日：2013-09-10