2-(3,5-bis-trifluoromethyl-phenyl)-N-[1-ethyl-4-(4-methyl-thiophen-3-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl]-N-methyl-isobutyramide | 1340591-93-6

• 分子结构分类: 有机化合物
• 英文名称: 2-(3,5-bis-trifluoromethyl-phenyl)-N-[1-ethyl-4-(4-methyl-thiophen-3-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl]-N-methyl-isobutyramide
• 英文别名: 2-[3,5-bis(trifluoromethyl)phenyl]-N-[1-ethyl-4-(4-methylthiophen-3-yl)pyrazolo[3,4-b]pyridin-5-yl]-N,2-dimethylpropanamide
• CAS: 1340591-93-6
• 化学式: C₂₆H₂₄F₆N₄OS
• 分子量: 554.559
• InChiKey: WFNICGLNYVGUMS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  38
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  79.3
• 氢给体数：
  0
• 氢受体数：
  10

文献信息

• [EN] PYRRAZOLOPYRIDINE DERIVATIVES<br/>[FR] DÉRIVÉS DE PYRAZOLOPYRIDINE
  申请人：HOFFMANN LA ROCHE

  公开号：WO2011131571A1

  公开（公告）日：2011-10-27

  The present invention relates to a compound of formula (I), wherein R1 is hydrogen, lower alkyl, lower alkyl substituted by halogen, benzyl, -C(0)-lower alkyl, -C(0)-CH2-lower alkoxy, -C(0)-C3-6-cycloalkyl, -(CH2)°-C(0)-NR,R', -(CH2)°S(0)2- lower alkyl or -S(0)2-NR,R'; o is 0 or 1; R,R' are independently from each other hydrogen or lower alkyl, or may form together with the N atom to which they are attached a 5 or 6 membered heterocycloalkyl ring; R2 is hydrogen or lower alkyl; R3 is halogen, lower alkoxy, lower alkyl substituted by halogen or lower alkoxy substituted by halogen; and may be the same or different in case n is 2; n is 1 or 2; Ar is phenyl optionally substituted by one or two substituents selected from lower alkyl, halogen, lower alkoxy, lower alkyl substituted by hydroxy or cyano, or is a five or six membered heteroaryl group, selected from thiophenyl or pyridinyl which are optionally substituted by lower alkyl or halogen; or to a pharmaceutically active acid addition salt. It has surprisingly been found that the compounds of formula I show a high affinity simultaneously to both the NK1 and the NK3 receptors (dual NK1/NK3 receptor antagonists), useful in the treatment of schizophrenia.

  本发明涉及一种具有以下结构的化合物（I），其中R1是氢、较低烷基、被卤素取代的较低烷基、苄基、-C(0)-较低烷基、-C(0)-CH2-较低烷氧基、-C(0)-C3-6-环烷基、-( )°-C(0)-NR,R'、-( )°S(0)2-较低烷基或-S(0)2-NR,R'；o为0或1；R，R'分别独立地为氢或较低烷基，或者与它们附着的N原子一起形成5或6元杂环烷基环；R2为氢或较低烷基；R3为卤素、较低烷氧基、被卤素取代的较低烷基或被卤素取代的较低烷氧基；在n为2时可能相同或不同；n为1或2；Ar为苯基，可选择地取代为来自较低烷基、卤素、较低烷氧基、被羟基或氰基取代的较低烷基的一个或两个取代基，或者是来自噻吩基或吡啶基的五元或六元杂环芳基，可选择地被较低烷基或卤素取代；或者是药理活性酸盐。令人惊讶的是，发现化合物I具有高亲和力，同时对NK1和NK3受体（双重NK1/NK3受体拮抗剂）表现出高亲和力，可用于治疗精神分裂症。
• PYRRAZOLOPYRIDINE COMPOUNDS AS DUAL NK1/NK3 RECEPTOR ANTAGONISTS
  申请人：Jablonski Philippe

  公开号：US20110257402A1

  公开（公告）日：2011-10-20

  The present invention relates to a compound of formula I wherein R 1 , R 2 , R 3 , Ar, and n are as defined herein or to a pharmaceutically active acid addition salt. Compounds of formula I show a high affinity simultaneously to both the NK1 and the NK3 receptors (dual NK1/NK3 receptor antagonists), useful in the treatment of schizophrenia.

  本发明涉及式I的化合物，其中R1、R2、R3、Ar和n如此定义，或者是一种药物活性酸盐。式I的化合物同时表现出高亲和力对NK1和NK3受体（双重NK1/NK3受体拮抗剂），适用于治疗精神分裂症。
• AN NK-1/NK-3 RECEPTOR ANTAGONIST FOR THE TREATMENT OF SEX-HORMONE-DEPENDENT DISEASES
  申请人：NeRRe Therapeutics Limited

  公开号：EP3574907A1

  公开（公告）日：2019-12-04

  This invention relates to new use of dual NK-1/NK-3 receptor antagonists or a pharmaceutically acceptable salt thereof in the treatment of sex-hormone dependent diseases.

  本发明涉及 NK-1/NK-3 双受体拮抗剂或其药学上可接受的盐在治疗性激素依赖性疾病中的新用途。
• Uses of dual NK1/NK3 receptor antagonists for treating sex-hormone diseases
  申请人：NeRRe Therapeutics Limited

  公开号：US10195205B2

  公开（公告）日：2019-02-05

  This invention relates to new use of dual NK-1/NK-3 receptor antagonists or a pharmaceutically acceptable salt thereof in the treatment of sex-hormone dependent diseases.

  本发明涉及 NK-1/NK-3 双受体拮抗剂或其药学上可接受的盐在治疗性激素依赖性疾病中的新用途。
• PYRRAZOLOPYRIDINE DERIVATIVES
  申请人：F.Hoffmann-La Roche AG

  公开号：EP2560974B1

  公开（公告）日：2016-01-27