3-methyl-5-(piperazin-1-yl)-1,2,4-oxadiazole | 67869-92-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 3-methyl-5-(piperazin-1-yl)-1,2,4-oxadiazole
• 英文别名: 1-(3-methyl-[1,2,4]oxadiazol-5-yl)-piperazine；1-(3-methyl-1,2,4-oxadiazol-5-yl)-piperazine；1-(3-Methyl-1,2,4-oxadiazol-5-yl)piperazin；3-methyl-5-piperazin-1-yl-1,2,4-oxadiazole
• CAS: 67869-92-5
• 化学式: C₇H₁₂N₄O
• 分子量: 168.198
• InChiKey: JOFZZOBYMBDDRM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  54.2
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  胡椒基氯 、 3-methyl-5-(piperazin-1-yl)-1,2,4-oxadiazole 生成 1-benzo[1,3]dioxol-5-ylmethyl-4-(3-methyl-[1,2,4]oxadiazol-5-yl)-piperazine
  参考文献：
  名称：

  Disubstituted piperazines

  摘要：

  二取代哌嗪的化学式为：##STR1## 其中：##STR2## 是萘基、苯并[b]呋喃基、苯并[b]噻吩基、苯二氧杂基、苯二氧基、苯二氧环庚基、香豆素基、色基、.DELTA..sup.3-色基、硫代色基或.DELTA..sup.3-硫代色基，X为氮，同时Y为氧或硫，或X为硫、亚胺（NH）或甲基亚胺（N CH.sub.3），同时Y为氮，R为氢、低碳基、苯基、卤苯基、低烷基苯基或低烷氧基苯基。这些化合物具有有趣的药理和治疗特性，可用作药物，特别是在治疗高血压、外周血管疾病和帕金森病方面。

  公开号：

  US04177272A1

文献信息

• Design, structure–activity relationship and in vivo efficacy of piperazine analogues of fenarimol as inhibitors of Trypanosoma cruzi
  作者：Martine Keenan、Paul W. Alexander、Hugo Diao、Wayne M. Best、Andrea Khong、Maria Kerfoot、R. C. Andrew Thompson、Karen L. White、David M. Shackleford、Eileen Ryan、Alison D. Gregg、Susan A. Charman、Thomas W. von Geldern、Ivan Scandale、Eric Chatelain

  DOI：10.1016/j.bmc.2013.01.050

  日期：2013.4

  A scaffold hopping exercise undertaken to expand the structural diversity of the fenarimol series of anti-Trypanosoma cruzi (T. cruzi) compounds led to preparation of simple 1-[phenyl(pyridin-3-yl)methyl]piperazinyl. analogues of fenarimol which were investigated for their ability to inhibit T. cruzi in vitro in a whole organism assay. A range of compounds bearing amide, sulfonamide, carbamate/carbonate and aryl moieties exhibited low nM activities and two analogues were further studied for in vivo efficacy in a mouse model of T. cruzi infection. One compound, the citrate salt of 37, was efficacious in a mouse model of acute T. cruzi infection after once daily oral dosing at 20, 50 and 100 mg/kg for 5 days. (C) 2013 Elsevier Ltd. All rights reserved.
• 5-[(PIPERAZIN-1-YL)-3-OXO-PROPYL]-IMIDAZOLIDINE-2,4-DIONE DERIVATIVES AS ADAMTS INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS
  申请人：Galapagos NV

  公开号：EP3237406B1

  公开（公告）日：2019-02-06
• LSD1 INHIBITOR AND PREPARATION METHOD AND APPLICATION THEREOF
  申请人：MEDSHINE DISCOVERY INC.

  公开号：US20200345700A1

  公开（公告）日：2020-11-05

  A cyclopropylamine compound as a lysine-specific demethylase 1 (LSD1) inhibitor. Particularly, the present invention relates to a compound represented by formula (I) and a pharmaceutically acceptable salt thereof. The present invention also provides an application of the same in preparing a drug for treating an LSD1-related disease.
• US4177272A
  申请人：——

  公开号：US4177272A

  公开（公告）日：1979-12-04