2-benzyl-2,4-dihydro-4-methyl-3H-1,2,4-triazol-3-one

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-benzyl-2,4-dihydro-4-methyl-3H-1,2,4-triazol-3-one
• 英文别名: 1-benzyl-4-methyl-1H-1,2,4-triazol-5(4H)-one；2-Benzyl-4-methyl-1,2,4-triazol-3-one
• 化学式: C₁₀H₁₁N₃O
• 分子量: 189.217
• InChiKey: LOHDSLZRDOQCHV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  35.9
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1-苄基-1,2,4-噻唑 在 水 、 碘 、 potassium carbonate 作用下， 以 甲醇 为溶剂， 生成 2-benzyl-2,4-dihydro-4-methyl-3H-1,2,4-triazol-3-one
  参考文献：
  名称：

  唑类 的无金属C（sp 2）–H官能化：K 2 CO 3 / I 2介导的氧化，氨基化和氨基化†

  摘要：

  通过使用可商购的简单K 2 CO 3 / I 2试剂组合，可以实现多种唑类的直接C2-H氧化和亚胺化。碘化唑加成物，产生通过所述原位生成N-杂环碳烯的，为C2-H氧化，亚胺化，和唑类的胺化的关键中间体。重要的是，这些反应在温和的条件下以高至优异的产率进行，可扩展至大量并显示出广泛的底物范围。有趣的是，这种直接的C2-H胺化方法使我们能够获得各种具有药理活性的N 6-烷基或N 6芳基取代的苯并咪唑并喹唑啉酮骨架通过分子内CH串联进行一锅反应。

  DOI：

  10.1039/c8ob00535d

文献信息

• DRUG COMBINATIONS COMPRISING A DGAT INHIBITOR AND A PPAR-AGONIST
  申请人：Linders Joannes Theodorus Maria

  公开号：US20110112111A1

  公开（公告）日：2011-05-12

  The present invention relates to combinations of a DGAT inhibitor and a peroxisome proliferator-activator receptor (PPAR) agonist or a prodrug thereof. The invention further relates to methods for preparing such combinations, pharmaceutical compositions comprising said combinations as well as the use as a medicament of said combinations. The present invention also relates to novel DGAT inhibitors. The invention further relates to methods for preparing such compounds, pharmaceutical compositions comprising said compounds as well as the use as a medicament of said compounds.

  本发明涉及一种DGAT抑制剂和过氧化物酶体增殖激活受体（PPAR）激动剂或其前药的组合物。本发明还涉及制备这种组合物的方法，以及包含该组合物的制药组合物和该组合物作为药物的用途。本发明还涉及新型的DGAT抑制剂。本发明还涉及制备这种化合物的方法，以及包含该化合物的制药组合物和该化合物作为药物的用途。
• Kawasaki, Ikuo; Domen, Akane; Kataoka, Shin-ya, Heterocycles, 2003, vol. 60, # 2, p. 351 - 363
  作者：Kawasaki, Ikuo、Domen, Akane、Kataoka, Shin-ya、Yamauchi, Kazuya、Yamashita, Masayuki、Ohta, Shunsaku

  DOI：——

  日期：——
• Drug combinations comprising a DGAT inhibitor and a PPAR-agonist
  申请人：Janssen Pharmaceutica, N.V.

  公开号：EP2296659B1

  公开（公告）日：2016-12-21
• PIPERIDINE/PIPERAZINE DERIVATIVES
  申请人：Bongartz Jean-Pierre André Marc

  公开号：US20100216809A1

  公开（公告）日：2010-08-26

  The invention further relates to a DGAT inhibitor of formula (I), including any stereochemically isomeric form thereof, wherein A represents CH or N; the dotted line represents an optional bond in case A represents a carbon atom; X represents —NR x —C(═O)—; —Z—C(═O)—; —Z—NR x —C(═O)—; —S(═O)p-; C(═S)—; —NR x —C(═S)—; —Z—C(═S)—; —Z—NR x —C(═S)—; —O—C(═O)—; —C(═O)—C(═O)—; R 1 represents a 5-membered monocyclic heterocycle containing at least 2 heteroatoms; a 6-membered aromatic monocyclic heterocycle; or a 5-membered heterocycle containing at least 2 heteroatoms fused with phenyl, cyclohexyl or a 5-or 6-membered heterocycle; wherein each of said heterocycles may optionally be substituted; R 2 represents R 3 ; R 3 represents C 3-6 cycloalkyl, phenyl, naphtalenyl, 2,3-dihydro-1,4-benzodioxinyl, 1,3-benzodioxlyl, 2,3-dihydrobenzofuranyl or a 6-membered aromatic heterocycle containing 1 or 2 N atoms, wherein said C 3-6 cycloalkyl, phenyl, naphtalenyl, 2,3-dihydro-1,4-benzo-dioxinyl, 1,3-benzodioxolyl, 2,3-dihydrobenzofuranyl or 6-membered aromatic heterocycle may optionally be substituted; a N-oxide thereof, a pharmaceutically acceptable salt thereof or a solvate thereof. The invention further relates to methods for preparing such compounds, pharmaceutical compositions comprising said compounds as well as the use as a medicine of said compounds.
• US8835437B2
  申请人：——

  公开号：US8835437B2

  公开（公告）日：2014-09-16