3-methyl-1,2,4-triazole | 101822-15-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-methyl-1,2,4-triazole
• 英文别名: 2-(5-methyl-1H-1,2,4-triazol-3-yl)propan-2-ol
• CAS: 101822-15-5
• 化学式: C₆H₁₁N₃O
• 分子量: 141.173
• InChiKey: NDSNMUVZDZUQLL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  61.8
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2,5,5-trimethyl-4(5H)-oxazolonium perchlorate 在 一水合肼 作用下， 以 苯 为溶剂， 反应 0.83h， 生成 3-methyl-1,2,4-triazole
  参考文献：
  名称：

  Faleeva, L. N.; Ryabukhin, Yu. I.; Uflyand, I. E., Russian Journal of Organic Chemistry, 1985, vol. 21, # 10, p. 2051 - 2052

  摘要：

  DOI：

文献信息

• [EN] FUNCTIONALIZED AMINOTRIAZINES<br/>[FR] AMINOTRIAZINES FONCTIONNALISÉES
  申请人：LEADXPRO AG

  公开号：WO2020083957A1

  公开（公告）日：2020-04-30

  The present invention relates to novel antagonists of the A2B adenosine receptor and pharmaceutical compositions comprising said antagonists as well as their uses for the treatment and prevention of disorders known to be susceptible to improvement by antagonism of the A2B receptor such as asthma, chronic obstructive pulmonary disorder (COPD), pulmonary fibrosis, vascular diseases, allergic diseases, hypertension, retinopathy, diabetes mellitus, inflammatory gastrointestinal tract disorders, inflammatory diseases, autoimmune diseases, renal diseases, neurological disorders and, in particular, cancers. In particular, the present invention relates to compounds of formula (I), wherein R1 represents 1 to 3 identical or different R1 substituents, wherein said R1 is independently at each occurrence selected from hydrogen, halogen, C1-C8alkyl, C1- C8haloalkyl, C1-C8alkoxy, C1-C8hydroxyalkyl and C1-C8alkoxyalkyl; Ra is selected from phenyl, pyridinyl, pyrimidinyl, thiazolyl, thiodiazolyl, oxazolyl, pyrazolyl and triazolyl wherein said phenyl, pyridinyl, thiazolyl, thiodiazolyl, oxazolyl, pyrazolyl and triazolyl is independently optionally substituted by one or more substituents independently selected from halogen, hydroxyl, cycloalkyl, C1-C4alkyl-substituted cycloalkyl, C1-C8alkyl, C1-C8haloalkyl, C1-C8alkoxy, C1-C8alkylaminocarbonyl, C1-C8hydroxyalkyl, C1- C8dialkylaminoC1-C8alkyl, C1-C8aminoalkyl and a heterocycle selected from oxiran, oxetane, aziridine and azetidine wherein said oxiran, oxetane, aziridine and azetidine are independently optionally substituted by halogen, hydroxyl, C1-C4alkyl, C1-C2haloalkyl, C1-C2alkoxy; or Ra is -CONHR' wherein R' is selected from C1-C8alkyl, cycloalkyl, aryl, heteroaryl and C1-C8alkyl-N-morpholino, wherein said aryl, heteroaryl and C1-C8alkyl-N-morpholino is independently optionally substituted by [one or more] substituents selected from halogen, cycloalkyl, C1-C8alkyl, C1-C8alkoxy, C1-C8hydroxalkyl and C1-C8alkoxyalkyl; Ar/Het is selected from pyridinyl, phenyl and oxazolyl wherein said pyridinyl, phenyl and oxazolyl is independently optionally substituted by one or more substituents independently selected from halogen, cyano, C1-C8alkyl, C1-C8haloalkyl, C1-C8alkoxy, C1-C8hydroxyalkyl and C1-C8alkoxyalkyl; or pharmaceutically acceptable salt, or hydrate thereof.

  本发明涉及A2B腺苷受体的新型拮抗剂，以及包含所述拮抗剂的药物组合物，以及它们在治疗和预防已知对A2B受体拮抗有改善作用的疾病中的用途，如哮喘、慢性阻塞性肺疾病（COPD）、肺纤维化、血管疾病、过敏性疾病、高血压、视网膜病变、糖尿病、炎症性胃肠道疾病、炎症性疾病、自身免疫疾病、肾脏疾病、神经系统疾病以及尤其是癌症。具体而言，本发明涉及具有以下结构的化合物（I），其中R1代表1至3个相同或不同的R1取代基，其中所述的R1在每次出现时独立选择自氢、卤素、C1-C8烷基、C1-C8卤代烷基、C1-C8烷氧基、C1-C8羟基烷基和C1-C8烷氧基烷基；Ra选自苯基、吡啶基、嘧啶基、噻唑基、噻二唑基、噁唑基、吡唑基和三唑基，其中所述的苯基、吡啶基、噻唑基、噻二唑基、噁唑基、吡唑基和三唑基可以独立地选择一个或多个取代基，所述取代基独立地选自卤素、羟基、环烷基、C1-C4烷基取代的环烷基、C1-C8烷基、C1-C8卤代烷基、C1-C8烷氧基、C1-C8烷基氨甲酰基、C1-C8羟基烷基、C1-C8二烷氨基C1-C8烷基、C1-C8氨基烷基和氧环烷烷、氧杂环烷、氮杂环丙烷和氮杂环丙烷，所述的氧环烷烷、氧杂环烷、氮杂环丙烷和氮杂环丙烷可以独立地选择卤素、羟基、C1-C4烷基、C1-C2卤代烷基、C1-C2烷氧基；或者Ra为-CONHR'，其中R'选自C1-C8烷基、环烷基、芳基、杂环芳基和C1-C8烷基-N-吗啉基，其中所述的芳基、杂环芳基和C1-C8烷基-N-吗啉基可以独立地选择自卤素、环烷基、C1-C8烷基、C1-C8烷氧基、C1-C8羟基烷基和C1-C8烷氧基烷基；Ar/Het选自吡啶基、苯基和噁唑基，其中所述的吡啶基、苯基和噁唑基可以独立地选择一个或多个取代基，所述取代基独立地选自卤素、氰基、C1-C8烷基、C1-C8卤代烷基、C1-C8烷氧基、C1-C8羟基烷基和C1-C8烷氧基烷基；或其药学上可接受的盐，或其水合物。
• [EN] PYRIDAZINE DERIVATIVES AS RORc MODULATORS<br/>[FR] DÉRIVÉS DE PYRIDAZINE EN TANT QUE MODULATEURS DE RORC
  申请人：HOFFMANN LA ROCHE

  公开号：WO2016177686A1

  公开（公告）日：2016-11-10

  Compounds of formula (I): or pharmaceutical salts thereof, wherein m, n, A, R1, R2, R3, R4 and R5 are as defined herein. Also disclosed are methods of making the compounds and using the compounds for treatment of inflammatory diseases such as arthritis.

  公式（I）的化合物：或其药用盐，其中m、n、A、R1、R2、R3、R4和R5的定义如本文所述。还公开了制备这些化合物的方法，并将这些化合物用于治疗炎症性疾病，如关节炎。
• FALEEVA, L. N.;RYABUXIN, YU. I.;UFLYAND, I. E.;GORBUNOVA, M. O.;SHEJNKER,+, ZH. ORGAN. XIMII, 1985, 21, N 10, 2242-2243
  作者：FALEEVA, L. N.、RYABUXIN, YU. I.、UFLYAND, I. E.、GORBUNOVA, M. O.、SHEJNKER,+

  DOI：——

  日期：——
• Faleeva, L. N.; Ryabukhin, Yu. I.; Uflyand, I. E., Russian Journal of Organic Chemistry, <hi>1985</hi>, vol. 21, # 10, p. 2051 - 2052
  作者：Faleeva, L. N.、Ryabukhin, Yu. I.、Uflyand, I. E.、Gorbunova, M. O.、Sheinker, V. N.

  DOI：——

  日期：——