2-Methyl-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-1,3,4-oxadiazole | 144658-21-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-Methyl-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-1,3,4-oxadiazole
• CAS: 144658-21-9
• 化学式: C₁₀H₁₄N₄O₂
• 分子量: 222.247
• InChiKey: YASFAALGMDXYJJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  77.8
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  N1',N6'-二乙酰基己烷二酰肼 在 三氯氧磷 作用下， 以 乙腈 为溶剂， 反应 2.0h， 以80%的产率得到2-Methyl-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-1,3,4-oxadiazole
  参考文献：
  名称：

  取代的双-1,3,4-恶二唑的 1H 和 13C NMR 光谱

  摘要：

  N,N'-二酰基链烷二酸二酰肼与磷酰氯脱水得到 5,5'-二取代-2,2'-(1,n-链烷二基)双-1,3,4-恶二唑。这些化合物的结构通过 1H、13C NMR、UV 和 IR 光谱进行了阐明。

  DOI：

  10.1002/mrc.1260300922

文献信息

• Preparation of 5-Substituted 2-Methyl-1,3,4-oxadiazoles from 5-Substituted Tetrazoles and Acetic Anhydride
  作者：Branko S. Jursic、Zoran Zdravkovskif

  DOI：10.1080/00397919408010158

  日期：1994.6

  Abstract Readily available tetrazoles can be transformed into the corresponding 2-methyl-1,3,4-oxazodiazoles by heating their acetic anhydride solution. The procedure is simple, short, gives high yields, and is applicable to large scale syntheses.

  摘要 容易获得的四唑可以通过加热其乙酸酐溶液转化为相应的 2-甲基-1,3,4-恶唑二唑。该方法简单、短、收率高，适用于大规模合成。
• HETEROCYCLIC INHIBITORS OF GLUTAMINASE
  申请人：Calithera Biosciences Inc.

  公开号：US20130157998A1

  公开（公告）日：2013-06-20

  The invention relates to novel heterocyclic compounds and pharmaceutical preparations thereof. The invention further relates to methods of treatment using the novel heterocyclic compounds of the invention.

  本发明涉及新型杂环化合物及其制药制剂。本发明还涉及使用所述新型杂环化合物治疗的方法。
• TREATMENT OF CANCER WITH HETEROCYCLIC INHIBITORS OF GLUTAMINASE
  申请人：Calithera Biosciences, Inc.

  公开号：US20150004134A1

  公开（公告）日：2015-01-01

  The invention relates to novel heterocyclic compounds and pharmaceutical preparations thereof. The invention further relates to methods of treating or preventing cancer using the novel heterocyclic compounds of the invention.

  本发明涉及新型杂环化合物及其制药制剂。本发明还涉及使用所述新型杂环化合物治疗或预防癌症的方法。
• METHODS OF ADMINISTERING GLUTAMINASE INHIBITORS
  申请人：Calithera Biosciences, Inc.

  公开号：US20160287564A1

  公开（公告）日：2016-10-06

  In some aspects, the invention relates to a method of treating cancer, a myeloproliferative disease, an immunological disease, a neurological disease, or a viral infection, comprising orally administering a compound of formula I, formula II, formula III, formula IV, formula V, and/or formula VI, wherein the compound is administered with a meal (e.g., with food as defined herein) or in fed mode.
• TREATMENT OF CANCER WITH INHIBITORS OF GLUTAMINASE
  申请人：Liang Yu

  公开号：US20180055825A1

  公开（公告）日：2018-03-01

  The invention relates to method of treating a disease or disorder (e.g., such as cancer) in a subject, comprising administering to the subject heterocyclic compounds and pharmaceutical preparations described herein, if the subject is determined to possess at least one G allele at single nucleotide polymorphism (SNP) rs6983267.