2-氯甲基-5-(吡啶-3-基)-1,3,4-噁二唑 | 677347-79-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 2-氯甲基-5-(吡啶-3-基)-1,3,4-噁二唑
• 中文别名: 3-[5-(氯甲基)-1,3,4-氧杂二唑-2-基]吡啶
• 英文名称: 3-(5-chloromethyl-1,3,4-oxadiazole-2-yl)-pyridine
• 英文别名: 3-[5-(Chloromethyl)-1,3,4-oxadiazol-2-yl]pyridine；2-(chloromethyl)-5-pyridin-3-yl-1,3,4-oxadiazole
• CAS: 677347-79-4
• 化学式: C₈H₆ClN₃O
• 分子量: 195.608
• InChiKey: HQTGPLTVMBODQM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  51.8
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  6-(4-chlorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1]benzazepine 、 2-氯甲基-5-(吡啶-3-基)-1,3,4-噁二唑 以gave 145 mg of 6-(4-chlorophenyl)-1-methyl-4-{[5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl]methyl}-4H-[1,2,4]triazolo[4,3-a][1]benzazepine的产率得到6-(4-chlorophenyl)-1-methyl-4-{[5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl]methyl}-4H-[1,2,4]triazolo[4,3-a][1]benzazepine
  参考文献：
  名称：

  BET PROTEIN-INHIBITING 5-ARYL TRIAZOLE AZEPINES

  摘要：

  本发明涉及BET蛋白抑制剂，特别是通式（I）中的BRD4抑制剂5-芳基三唑氮杂环庚烷。其中R1，R2，R3和R4具有通式（I）所给出的含义，以及包含本发明化合物的制药组合物，以及其在高增殖性疾病，特别是恶性肿瘤疾病的预防和治疗中的预防和治疗用途。本发明还涉及在病毒感染，神经退行性疾病，炎症性疾病，动脉粥样硬化性疾病和男性生育控制中使用BET蛋白抑制剂。

  公开号：

  US20150299201A1
• 作为产物：
  描述：

  3-吡啶甲酰肼 、 氯乙酸 在 三氯氧磷 作用下， 生成 2-氯甲基-5-(吡啶-3-基)-1,3,4-噁二唑
  参考文献：
  名称：

  新型噻吩并[2,3-d]嘧啶衍生物的合成及体外抗肿瘤评价

  摘要：

  DOI：

  10.1016/j.bioorg.2024.107401

文献信息

• Novel macrolides and ketolides having antimicrobial activity
  申请人：Sindkhedkar Milind Dattatraya

  公开号：US20090247478A1

  公开（公告）日：2009-10-01

  The present invention provides compounds having antimicrobial activity for preventing and treating diseases caused by microbial infections. Thus, the present invention relates to novel semi-synthetic 11,12-γ lactone macrolides and ketolides having antimicrobial activity, processes for making compounds as well as pharmaceutical compositions containing said compounds as active ingredients and methods of treating microbial infections with the compounds.

  本发明提供具有抗微生物活性的化合物，用于预防和治疗由微生物感染引起的疾病。因此，本发明涉及具有抗微生物活性的新型半合成11,12-γ内酯大环内酯和酮酰胺类化合物，制备这些化合物的方法以及含有这些化合物作为活性成分的药物组合物和使用这些化合物治疗微生物感染的方法。
• Structure–activity relationships of tyrosinase inhibitory combinatorial library of 2,5-disubstituted-1,3,4-oxadiazole analogues
  作者：Mahmud Tareq Hassan Khan、Muhammad Iqbal Choudhary、Khalid Mohammed Khan、Mubeen Rani、Atta-ur-Rahman

  DOI：10.1016/j.bmc.2005.03.012

  日期：2005.5

  Here the tyrosinase inhibition studies of library of 2,5-disubstituted-1,3,4-oxadiazoles have been reported and their structure-activity relationship (SAR) also have been discussed. The library of the oxadiazoles was synthesized under the microwave irradiation and was structures of these were characterized by different spectral techniques. From this study it could be concluded that for a better inhibition of tyrosinase, electronegative substitution is essential as most probably the active site of the enzyme contain some hydrophobic site and position is also very important for the inhibition purposes due to the conformational space. The electronegativity of the compounds is somewhat proportional to the inhibitory activity. The compound 3e (3 '-[5-(4 '-bromophenyl)-1,3,4-oxadiazol-2-yl]pyridine) exhibited most potent (IC50 = 2.18 mu M) inhibition against the enzyme tyrosinase which is more potent than the standard potent inhibitor L-mimosine IC50 = 3.68 mu M). This molecule can be the best candidate as a lead compound for further development of drug for the treatments of several skin disorders. (c) 2005 Elsevier Ltd. All rights reserved.
• BET-PROTEININHIBITORISCHE 5-ARYL-TRIAZOLO-AZEPINE
  申请人：Bayer Pharma Aktiengesellschaft

  公开号：EP2900672A1

  公开（公告）日：2015-08-05
• US9663523B2
  申请人：——

  公开号：US9663523B2

  公开（公告）日：2017-05-30