1-Methyl-4-(p-nitrophenyl)-5-trifluoromethylimidazole | 129247-44-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-Methyl-4-(p-nitrophenyl)-5-trifluoromethylimidazole
• 英文别名: 1-Methyl-5-trifluoromethyl-4-(4-nitrophenyl)-1H-imidazole；1-methyl-4-(4-nitrophenyl)-5-(trifluoromethyl)imidazole
• CAS: 129247-44-5
• 化学式: C₁₁H₈F₃N₃O₂
• 分子量: 271.199
• InChiKey: VIURYPIBDWIEJW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  19
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  63.6
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  Propan-2-one, 1,1,1-trifluoro-3-dimethylhydrazono-3-(4-nitrophenyl)- 生成 1-Methyl-4-(p-nitrophenyl)-5-trifluoromethylimidazole
  参考文献：
  名称：

  KAMITORI, YASUHIRO;HOJO, MASARU;MASUDA, RYOICHI;OHARA, SEIJI;KAWASAKI, KA+, J. HETEROCYCL. CHEM., 27,(1990) N, C. 487-495

  摘要：

  DOI：

文献信息

• Small molecule modulators of IL-17
  申请人：LEO Pharma A/S

  公开号：US11377425B1

  公开（公告）日：2022-07-05

  The present invention relates to a compound according to formula I and pharmaceutically acceptable salts, hydrates, or solvates thereof. The invention further relates to said compounds for use in therapy, to pharmaceutical compositions comprising said compounds, to methods of treating diseases, e.g. dermal diseases, with said compounds, and to the use of said compounds in the manufacture of medicaments.

  本发明涉及一种符合式 I 的化合物 及其药学上可接受的盐、水合物或溶液。本发明还涉及用于治疗的所述化合物、包含所述化合物的药物组合物、用所述化合物治疗疾病（如皮肤病）的方法，以及在制造药物时使用所述化合物。
• Kamitori, Yasuhiro; Hojo, Masaru; Masuda, Ryoichi, Heterocycles, 1990, vol. 31, # 12, p. 2103 - 2106
  作者：Kamitori, Yasuhiro、Hojo, Masaru、Masuda, Ryoichi、Kawamura, Yoshihiko、Fang, Xie

  DOI：——

  日期：——
• Kamitori, Yasuhiro; Hojo, Masaru; Masuda, Ryoichi, Journal of Heterocyclic Chemistry, 1990, vol. 27, # 3, p. 487 - 495
  作者：Kamitori, Yasuhiro、Hojo, Masaru、Masuda, Ryoichi、Ohara, Seiji、Kawasaki, Kazuyoshi、et al.

  DOI：——

  日期：——
• Thermal Reaction of 5-Aryl-6-trifluoromethyl-3,6-dihydro-2H-[1,3,4]oxadiazines Accessing 5-Trifluoromethylimidazoles
  作者：Yasuhiro Kamitori、Tomoko Sekiyama、Etsuji Okada

  DOI：10.3987/com-07-s(w)12

  日期：——

  Thermal reaction of 5-aryl-6-trifluoromethyl-3,6-dihydro-2H[1,3,4]oxadiazines (2) readily obtainable from 3-aryl-3-dimethylhydrazono-1,1,1-trifluoro-2-propanones (1) afforded 4-aryl-1-methyl-5-trifluoromethylimidazoles (3) in moderate to good yields. Mechanism for this thermal transformation reaction is also discussed.
• AMINO-ACID ANILIDES AS SMALL MOLECULE MODULATORS OF IL-17
  申请人：Leo Pharma A/S

  公开号：EP3897623A1

  公开（公告）日：2021-10-27