3-(4-tert-butylphenyl)-4H-[1,2,4]triazole | 1196894-15-1

• 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-(4-tert-butylphenyl)-4H-[1,2,4]triazole
• 英文别名: 5-(4-tert-butylphenyl)-1H-1,2,4-triazole
• CAS: 1196894-15-1
• 化学式: C₁₂H₁₅N₃
• 分子量: 201.271
• InChiKey: YILVYLCQFMTYTG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  41.6
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  3-(4-tert-Butylphenyl)-4-(4-fluorobenzyl)-4H-[1,2,4]triazole 在 Pearlman catalyst 氢气 作用下， 以 乙醇 为溶剂， 反应 16.0h， 生成 3-(4-tert-butylphenyl)-4H-[1,2,4]triazole
  参考文献：
  名称：

  SMALL MOLECULE MODULATORS OF CELL ADHESION

  摘要：

  化合物，特别是具有作为调节cadherin介导的细胞粘附活性的化合物，具有以下结构：或其药用盐、立体异构体或前药，其中R1、R2、R3、R4、R5、R6、A、X、Y、Z、m和n如本文所定义。与其制备和使用相关的方法，以及含有该化合物的药物组合物也被披露。

  公开号：

  US20090291967A1

文献信息

• 4-Aralkyl-5-substituted-1,2,4-triazole-5-thiols
  申请人：SMITHKLINE BECKMAN CORPORATION

  公开号：EP0323737A1

  公开（公告）日：1989-07-12

  Compounds of formula (I) and pharmaceutically acceptable salts thereof are described in which, n is 0 to 5; X¹ to X⁵ are any accessible combination of hydrogen, halogen, C₁₋₆alkyl, C₁₋₆alkoxy, cyano, nitro, SONH₂, SO₂NH₂, SO₂CH₃, SO₂CH₂F, SO₂CHF₂, SO₂CF₃, CF₃, CHO, OH, CH₂OH, CO₂H, or CO₂CpH2p+1 wherein p is 1 to 4; R¹ is phenyl substituted by X¹ to X⁵, C₁₋₄alkyl, C₃₋₆cycloalkyl, or an arylC₁₋₄alkyl group substituted by X¹ to X⁵; R² is hydrogen, C₁₋₄alkyl or (CH₂)m-CO₂R³; m is 0 to 5; and R³ is H or C₁₋₄alkyl. These compounds are dopamine-β-hydroxylase inhibitors. Pharmaceutical compositions are described as are methods of use. Processes for the preparation of these compounds are described.

  描述了式（I）的化合物及其药学上可接受的盐，其中，n为0至5；X¹至X⁵为氢、卤素、C₁₋₆烷基、C₁₋₆烷氧基、氰基、硝基、SONH₂、SO₂NH₂、SO₂CH₃、SO₂CH₂F、SO₂CHF₂、SO₂CF₃、CF₃、CHO、OH、CH₂OH、CO₂H或CO₂CpH2p+1的任意可访问组合，其中p为1至4；R¹为被X¹至X⁵取代的苯基、C₁₋₄烷基、C₃₋₆环烷基或被X¹至X⁵取代的芳基C₁₋₄烷基基团；R²为氢、C₁₋₄烷基或（CH₂）m-CO₂R³；m为0至5；R³为H或C₁₋₄烷基。这些化合物是多巴胺-β-羟基化酶抑制剂。描述了药物组合物以及使用方法。描述了这些化合物的制备过程。
• NICOTINAMIDES AS JAK KINASE MODULATORS
  申请人：Bauer Shawn M.

  公开号：US20120108566A1

  公开（公告）日：2012-05-03

  The present invention is directed to compounds of formula I and pharmaceutically acceptable salts, esters, and prodrugs thereof which are inhibitors of JAK kinase. The present invention is also directed to intermediates used in making such compounds, the preparation of such a compound, pharmaceutical compositions containing such a compound, methods of inhibition JAK kinase activity, methods of inhibition the platelet aggregation, and methods to prevent or treat a number of conditions mediated at least in part by JAK kinase activity, such as undesired thrombosis and Non Hodgkin's Lymphoma.

  本发明涉及具有公式I的化合物及其药用可接受的盐、酯和前药，这些化合物是JAK激酶的抑制剂。本发明还涉及用于制备这类化合物的中间体，该化合物的制备，含有该化合物的药物组合物，抑制JAK激酶活性的方法，抑制血小板聚集的方法，以及预防或治疗至少部分由JAK激酶活性介导的多种疾病条件的方法，例如不良血栓形成和非霍奇金淋巴瘤。
• CHROMAN DERIVATIVES AS TRPM8 INHIBITORS
  申请人：AMGEN INC.

  公开号：US20140045855A1

  公开（公告）日：2014-02-13

  Chroman compounds and derivatives of Formula I are useful inhibitors of TRPM8. Such compounds are useful in treating a number of TRPM8 mediated disorders and conditions and may be used to prepare medicaments and pharmaceutical compositions useful for treating such disorders and conditions. Examples of such disorders include, but are not limited to, migraines and neuropathic pain. Compounds of Formula I have the following structure: where the definitions of the variables are provided herein.

  Formula I的Chroman化合物和衍生物是TRPM8的有用抑制剂。这些化合物在治疗多种由TRPM8介导的疾病和症状方面具有用途，并可用于制备治疗这些疾病和症状的药物和药物组合物。这些疾病的例子包括，但不限于，偏头痛和神经病性疼痛。Formula I的化合物具有以下结构：变量的定义在此提供。
• BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES
  申请人：Noronha Glenn

  公开号：US20110212077A1

  公开（公告）日：2011-09-01

  The invention provides biaryl meta-pyrimidine compounds having the general structure (A). The pyrimidine compounds of the invention are capable of inhibiting kinases, such as members of the Jak kinase family, and various other specific receptor and non-receptor kinases.

  本发明提供了具有一般结构（A）的双芳基间位嘧啶化合物。本发明的嘧啶化合物能够抑制激酶，例如Jak激酶家族的成员以及其他特定的受体和非受体激酶。
• TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS
  申请人：Biswas Kaustav

  公开号：US20130157996A1

  公开（公告）日：2013-06-20

  Compounds of Formula I are useful as antagonists of TRPM8. Such compounds are useful in treating a number of TRPM8 mediated disorders and conditions and may be used to prepare medicaments and pharmaceutical compositions useful for treating such disorders and conditions. Examples of such disorders include, but are not limited to, migraines and neuropathic pain. Compounds of Formula I have the following structure: where the definitions of the variables are provided herein.

  公式I的化合物可用作TRPM8的拮抗剂。这些化合物在治疗许多TRPM8介导的疾病和病症方面非常有用，并可用于制备用于治疗此类疾病和病症的药物和制剂。此类疾病的示例包括但不限于偏头痛和神经病性疼痛。公式I的化合物具有以下结构：其中变量的定义在此提供。