3-Mesityl-2,5-dimethyl-8-(2-pyridylmethyl)-8H-pyrazolo[1,5-a]pyrrolo[3,2-e]pyrimidine hydrochloride | 344289-31-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-Mesityl-2,5-dimethyl-8-(2-pyridylmethyl)-8H-pyrazolo[1,5-a]pyrrolo[3,2-e]pyrimidine hydrochloride
• 英文别名: 7,11-Dimethyl-3-(pyridin-2-ylmethyl)-10-(2,4,6-trimethylphenyl)-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene;hydrochloride
• CAS: 344289-31-2
• 化学式: C₂₅H₂₅N₅*ClH
• 分子量: 431.968
• InChiKey: DWJSYMCWFBXGCH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.76
• 重原子数：
  31
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  48
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• Fused heterotricyclic compounds, process for preparing the compounds and drugs containing the same
  申请人：——

  公开号：US20030078277A1

  公开（公告）日：2003-04-24

  The present invention provides a novel compound having an excellent corticotrophin-releasing-factor receptor antagonistic activity. That is, it provides a compound represented by the following formula, a pharmacologically acceptable salt thereof or hydrates thereof. 1 Wherein A, B and D are the same as or different from each other and each represents a group represented by the formula —(CR 1 R 2 ) m — (wherein R 1 and R 2 are the same as or different from each other and each represents a C 1-6 alkyl group etc.), —NR 3 — (wherein R 3 represetns hydrogen etc.) etc.; E and G are the same as or different from each other and each represents a group represented by the formula —(CR 6 R 7 ) p — (wherein R 6 and R 7 are the same as or different from each other and each represents hydrogen etc.; and p represents an integer of 0, 1 or 2); J represents a carbon atom or nitrogen atom, each substituted with C 1-6 alkyl group optionally substituted with a halogen atom, etc.; K and L are the same as or different from each other and each represents carbon atom or nitrogen atom; M means hydrogen, a halogen atom, an optionally substituted C 1-6 alkyl group etc.; and the partial structure means a single or double bond.

  本发明提供了一种具有优异的促肾上腺皮质激素释放因子受体拮抗活性的新化合物。即提供了由以下公式表示的化合物，其药理学上可接受的盐或水合物。其中A、B和D相互相同或不同，每个代表以下公式表示的基团：—(CR1R2)m—（其中R1和R2相互相同或不同，每个代表C1-6烷基等），—NR3—（其中R3代表氢等）等；E和G相互相同或不同，每个代表以下公式表示的基团：—(CR6R7)p—（其中R6和R7相互相同或不同，每个代表氢等；p代表0、1或2的整数）；J代表一个碳原子或氮原子，每个都被C1-6烷基等可选择地取代的卤素原子等取代；K和L相互相同或不同，每个代表碳原子或氮原子；M代表氢、卤素原子、可选择地取代的C1-6烷基等；部分结构表示单键或双键。
• FUSED HETEROTRICYCLIC COMPOUNDS, PROCESS FOR PREPARING THE COMPOUNDS AND DRUGS CONTAINING THE SAME
  申请人：Eisai Co., Ltd.

  公开号：EP1238979A1

  公开（公告）日：2002-09-11

  The present invention provides a novel compound having an excellent corticotrophin-releasing-factor receptor antagonistic activity. That is, it provides a compound represented by the following formula, a pharmacologically acceptable salt thereof or hydrates thereof. Wherein A, B and D are the same as or different from each other and each represents a group represented by the formula - (CR1R2)m- (wherein R1 and R2 are the same as or different from each other and each represents a C1-6 alkyl group etc.), -NR3- (wherein R3 represetns hydrogen etc.) etc.; E and G are the same as or different from each other and each represents a group represented by the formula - (CR6R7)p- (wherein R6 and R7 are the same as or different from each other and each represents hydrogen etc.; and p represents an integer of 0, 1 or 2); J represents a carbon atom or nitrogen atom, each substituted with C1-6 alkyl group optionally substituted with a halogen atom, etc.; K and L are the same as or different from each other and each represents carbon atom or nitrogen atom; M means hydrogen, a halogen atom, an optionally substituted C1-6 alkyl group etc.; and the partial structure ----- means a single or double bond.

  本发明提供了一种新型化合物，它具有优异的促肾上腺皮质激素释放因子受体拮抗活性。也就是说，本发明提供了由下式表示的化合物、其药理学上可接受的盐或其水合物。 其中 A、B 和 D 彼此相同或不同，且各自代表由式 - (CR1R2)m- （其中 R1 和 R2 彼此相同或不同，且各自代表 C1-6 烷基等）、-NR3-（其中 R3 代表氢等）等表示的基团；E 和 G 彼此相同或不同，且各自代表由式 - (CR6R7)p- （其中 R6 和 R7 彼此相同或不同，且各自代表氢等）表示的基团。其中 R6 和 R7 彼此相同或不同，各自代表氢等；p 代表 0、1 或 2 的整数）；J 代表碳原子或氮原子，各自被 C1-6 烷基任选取代，并被卤素原子等取代；K 和 L 彼此相同或不同，各自代表碳原子或氮原子；M 指氢、卤素原子、任选取代的 C1-6 烷基等；部分结构 ----- 指单键或双键。
• Tricyclic fused heterocyclic compounds as CRFantagonists
  申请人：Eisai Co., Ltd.

  公开号：EP1408040A1

  公开（公告）日：2004-04-14

  The present invention provides a novel compound having an excellent corticotrophin-releasing-factor receptor antagonistic activity. That is, it provides a compound represented by the following formula, a pharmacologically acceptable salt thereof or hydrates thereof. wherein: R2 is a hydrogen atom, a C1-6 alkyl group, a C2-6 alkenyl group, a C2-6 alkynyl group, a C1-6 alkoxy group, a C3-8 cycloalkyl group, a C1-6 alkoxy C1-6 alkyl group, a C3-8 cycloalkyl C1-6 alkyl group or a C1-6 alkyl-aryl group; the partial structure --- represents a single or double bond; M' represents a hydrogen atom, a halogen atom or a C1-6 alkyl group; R7' represents a hydrogen atom or a C1-6 alkyl group; W' represents an optionally substituted aryl group or an optionally substituted saturated or unsaturated heterocyclic ring; and R3 is a hydrogen atom or various specific organic substituents.

  本发明提供了一种新型化合物，它具有优异的促肾上腺皮质激素释放因子受体拮抗活性。也就是说，本发明提供了由下式表示的化合物、其药理学上可接受的盐或其水合物。 其中 R2 是氢原子、C1-6 烷基、C2-6 烯基、C2-6 炔基、C1-6 烷氧基、C3-8 环烷基、C1-6 烷氧基 C1-6 烷基、C3-8 环烷基 C1-6 烷基或 C1-6 烷基芳基； 部分结构----代表单键或双键； M' 代表氢原子、卤素原子或 C1-6 烷基； R7' 代表氢原子或 C1-6 烷基； W' 代表任选取代的芳基或任选取代的饱和或不饱和杂环；以及 R3 是氢原子或各种特定的有机取代基。
• EP1238979B1
  申请人：——

  公开号：EP1238979B1

  公开（公告）日：2005-03-02
• US6951865B2
  申请人：——

  公开号：US6951865B2

  公开（公告）日：2005-10-04