4-m-Tolyl-4H-1.2.4-triazol | 91004-62-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-m-Tolyl-4H-1.2.4-triazol
• 英文别名: 4-m-tolyl-4H-[1,2,4]triazole；4-m-tolyl-4H-1,2,4-triazole；4-(3-methylphenyl)-1,2,4-triazole
• CAS: 91004-62-5
• 化学式: C₉H₉N₃
• mdl: MFCD27998326
• 分子量: 159.191
• InChiKey: GJAPXPKFOKANHR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.111
• 拓扑面积：
  30.7
• 氢给体数：
  0
• 氢受体数：
  2

文献信息

• [EN] HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF<br/>[FR] COMPOSÉS HÉTÉROARYLE SERVANT D'INHIBITEURS D'IRAK, ET LEURS UTILISATIONS
  申请人：MERCK PATENT GMBH

  公开号：WO2017049069A1

  公开（公告）日：2017-03-23

  The present invention relates to compounds of Formula (I) and pharmaceutically acceptable compositions thereof, useful as IRAK inhibitors.

  本发明涉及式(I)的化合物及其药用可接受的组合物，作为IRAK抑制剂。
• [EN] HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF<br/>[FR] COMPOSÉS HÉTÉROARYLES SERVANT D'INHIBITEURS D'IRAK, ET LEURS UTILISATIONS
  申请人：MERCK PATENT GMBH

  公开号：WO2017049068A1

  公开（公告）日：2017-03-23

  The present invention relates to compounds of Formula (I) and pharmaceutically acceptable compositions thereof, useful as IRAK inhibitors.

  本发明涉及式(I)化合物及其药用可接受的组合物，作为IRAK抑制剂。
• [EN] N-CYCLYL-3 - (CYCLYLCARBONYLAMINOMETHYL) BENZAMIDE DERIVATIVES AS RHO KINASE INHIBITORS<br/>[FR] DÉRIVÉS DE N-CYCLYL-3-(CYCLYLCARBONYLAMINOMÉTHYL)BENZAMIDE EN TANT QU'INHIBITEURS DE LA RHO KINASE
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2012006203A1

  公开（公告）日：2012-01-12

  The present invention relates to compounds of formula (I) : and pharmaceutically acceptable salts thereof, wherein R1and R2 are various ring systems. The invention also relates to pharmaceutical compositions comprising these compounds, methods of using these compounds in the treatment of Rho Kinase mediated diseases and disorders, processes for preparing these compounds and intermediates useful in these processes.

  本发明涉及化合物的公式（I）及其药学上可接受的盐，其中R1和R2是不同的环系统。该发明还涉及包括这些化合物的药物组合物，使用这些化合物治疗Rho激酶介导的疾病和障碍的方法，制备这些化合物的方法以及在这些过程中有用的中间体。
• RHO KINASE INHIBITORS
  申请人：Cook Brian Nicholas

  公开号：US20120165322A1

  公开（公告）日：2012-06-28

  The present invention relates to compounds of formula (I): and pharmaceutically acceptable salts thereof, wherein R 1 and R 2 are as defined herein. The invention also relates to pharmaceutical compositions comprising these compounds, methods of using these compounds in the treatment of various diseases and disorders, processes for preparing these compounds and intermediates useful in these processes.

  本发明涉及式(I)的化合物和其药学上可接受的盐，其中R1和R2的定义如本文所述。本发明还涉及包含这些化合物的药物组合物、使用这些化合物治疗各种疾病和障碍的方法、制备这些化合物的过程以及在这些过程中有用的中间体。
• FURO[3, 2-B] PYRR0L-3-ONES AS CATHESPIN S INHIBITORS
  申请人：AMURA THERAPEUTICS LIMITED

  公开号：US20130150345A1

  公开（公告）日：2013-06-13

  A first aspect of the invention relates to a compound of formula (I), or a pharmaceutically acceptable salt, hydrate, complex or pro-drug thereof, wherein: one of R 3 and R 4 is H, and the other is selected from C 1-6 -alkyl, C 1-6 -haloalkyl, C 1-6 -alkoxy, and C 6-12 -aralkyl; or R 3 and R 4 are each independently selected from C 1-6 -alkyl and halo; R 9 is a substituted 5 or 6-membered aryl or heteroaryl group or a 6,5- or 6,6-fused biaryl or heterobiaryl group. Compounds of formula (I) exhibit surprisingly high efficacies for human cathepsin S, excellent selectivity verses other mammalian cathepsins and are useful for treatment of diseases such as rheumatoid arthritis, multiple sclerosis, myasthenia gravis, transplant rejection, diabetes, Sjogrens syndrome, Grave's disease, systemic lupus erythematosis, osteoarthritis, psoriasis, idiopathic thrombocytopenic purpura, allergic rhinitis, asthma, atherosclerosis, obesity, chronic obstructive pulmonary disease and chronic pain.

  本发明的第一个方面涉及公式(I)的化合物，或其药学上可接受的盐、水合物、复合物或前药，其中：R3和R4中的一个为H，另一个选自C1-6-烷基、C1-6-卤代烷基、C1-6-烷氧基和C6-12-芳基烷基; 或R3和R4各自独立地选自C1-6-烷基和卤代基; R9是取代的5或6成员芳基或杂芳基或6,5-或6,6-螺合的双芳基或双杂芳基。公式(I)的化合物表现出对人类卡特普汀S的惊人高效性，对其他哺乳动物卡特普汀具有优异的选择性，并可用于治疗风湿性关节炎、多发性硬化症、重症肌无力、移植排斥、糖尿病、Sjogrens综合症、Grave's病、全身性红斑狼疮、骨关节炎、牛皮癣、特发性血小板减少性紫癜、过敏性鼻炎、哮喘、动脉粥样硬化、肥胖症、慢性阻塞性肺疾病和慢性疼痛等疾病的治疗。