4-sec-butyl-1,2,4-triazole | 36175-36-7

• 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-sec-butyl-1,2,4-triazole
• 英文别名: 4-(sec-Butyl)-4H-1,2,4-triazole；4-butan-2-yl-1,2,4-triazole
• CAS: 36175-36-7
• 化学式: C₆H₁₁N₃
• 分子量: 125.173
• InChiKey: NMOMHELLMKVMQT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.25
• 重原子数：
  9.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  30.71
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  1H-1,2,4-三唑 、 2-溴丁烷 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 四氢呋喃 为溶剂， 以55%的产率得到(1-triazolyl-1,2,4)-2 butane
  参考文献：
  名称：

  An investigation into the alkylation of 1,2,4-triazole

  摘要：

  The alkylation of 1,2,4-triazole with 4-nitrobenzyl halides and a variety of bases afforded the 1- and 4-alkylated isomers with a consistent regioselectivity of 90:10. Previously reported regiospecific alkylations of 1,2,4-triazole were re-examined and the quoted isomer ratios were shown to depend on the isolation procedure. The use of DBU as base in the alkylation of 1,2,4-triazole allows for a convenient and high yielding synthesis of 1-substituted-1,2,4-triazoles. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(99)02272-8

文献信息

• BICYCLIC OXA-LACTAM KINASE INHIBITORS
  申请人：PORTOLA PHARMACEUTICALS, INC.

  公开号：US20150252056A1

  公开（公告）日：2015-09-10

  Provided are bicyclic oxa-lactam compounds for inhibition of JAK/Syk kinase, intermediates used in making such compounds, methods for their preparation, pharmaceutical compositions thereof, methods for inhibiting JAK/Syk kinase activity, and methods for treating conditions mediated at least in part by JAK/Syk kinase activity.

  提供了双环氧内酰胺化合物，用于抑制JAK/Syk激酶，用于制备这种化合物的中间体，其制备方法，制备这种化合物的制药组合物，抑制JAK/Syk激酶活性的方法，以及治疗至少部分由JAK/Syk激酶活性介导的疾病的方法。
• Diaminopyrimidine benzenesulfone derivatives and uses thereof
  申请人：Dana-Farber Cancer Institute, Inc.

  公开号：US10730860B2

  公开（公告）日：2020-08-04

  The present invention provides compounds of Formula (II) (e.g., compounds of Formula (I)), and pharmaceutically compositions thereof. Compounds of Formula (II) are believed to be binders of bromodomains and/or bromodomain-containing proteins (e.g., bromo and extra terminal (BET) proteins). Also provided are methods, uses, and kits using the compounds and pharmaceutical compositions for inhibiting the activity (e.g., increased activity) of bromodomains and/or bromodomain-containing proteins and for treating and/or preventing in a subject diseases associated with bromodomains or bromodomain-containing proteins (e.g., proliferative diseases, cardiovascular diseases, viral infections, fibrotic diseases, metabolic diseases, endocrine diseases, and radiation poisoning). The compounds, pharmaceutical compositions, and kits are also useful for male contraception.

  本发明提供了式(II)化合物（如式(I)化合物）及其药用组合物。据信，式（II）化合物是溴结构域和/或含溴结构域蛋白质（如溴外末端（BET）蛋白质）的结合剂。还提供了使用这些化合物和药物组合物的方法、用途和试剂盒，这些化合物和药物组合物用于抑制溴基链和/或含溴基链蛋白的活性（如活性增加），并用于治疗和/或预防受试者与溴基链或含溴基链蛋白相关的疾病（如增殖性疾病、心血管疾病、病毒感染、纤维化疾病、代谢性疾病、内分泌疾病和辐射中毒）。这些化合物、药物组合物和试剂盒还可用于男性避孕。
• DIAMINOPYRIMIDINE BENZENESULFONE DERIVATIVES AND USES THEREOF
  申请人：Dana-Farber Cancer Institute, Inc.

  公开号：US20190135790A1

  公开（公告）日：2019-05-09

  The present invention provides compounds of Formula (II) (e.g., compounds of Formula (I)), and pharmaceutically compositions thereof. Compounds of Formula (II) are believed to be binders of bromodomains and/or bromodomain-containing proteins (e.g., bromo and extra terminal (BET) proteins). Also provided are methods, uses, and kits using the compounds and pharmaceutical compositions for inhibiting the activity (e.g., increased activity) of bromodomains and/or bromodomain-containing proteins and for treating and/or preventing in a subject diseases associated with bromodomains or bromodomain-containing proteins (e.g., proliferative diseases, cardiovascular diseases, viral infections, fibrotic diseases, metabolic diseases, endocrine diseases, and radiation poisoning). The compounds, pharmaceutical compositions, and kits are also useful for male contraception.
• US4120864A
  申请人：——

  公开号：US4120864A

  公开（公告）日：1978-10-17
• US4271308A
  申请人：——

  公开号：US4271308A

  公开（公告）日：1981-06-02