1-(2,2-二甲基丙基)-3-(1-萘基)脲 | 102613-47-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 中文名称: 1-(2,2-二甲基丙基)-3-(1-萘基)脲
• 中文别名: 1-(2,2-二甲基丙基)-3-萘-1-基脲
• 英文名称: Urea, 1-(1-naphthyl)-3-neopentyl-
• 英文别名: 1-(2,2-dimethylpropyl)-3-naphthalen-1-ylurea
• CAS: 102613-47-8
• 化学式: C₁₆H₂₀N₂O
• 分子量: 256.34
• InChiKey: NOVXUXAQJUJFBG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  41.1
• 氢给体数：
  2
• 氢受体数：
  1

文献信息

• COMPOUND OR SALT THEREOF, NATURAL KILLER T CELL ACTIVATOR, AND PHARMACEUTICAL COMPOSITION
  申请人：KEIO UNIVERSITY

  公开号：US20200207798A1

  公开（公告）日：2020-07-02

  The invention provides a compound or a salt thereof capable of activating natural killer T cell, a natural killer T cell activating agent containing such a compound or a salt thereof, and a pharmaceutical composition. The compound of the invention is a compound represented by the following formula (1) or a salt thereof. It is preferable that total carbon number of the number of carbon atoms in the monovalent hydrocarbon group in R 1 in the formula (1) excluding a substitutent and the number of carbon atoms in the divalent hydrocarbon group in X 1 is 5 to 50. The natural killer T cell activating agent contains the aforementioned compound or a salt thereof. The pharmaceutical composition contains the aforementioned compound or a pharmacologically acceptable salt thereof.

  该发明提供了一种能够激活自然杀伤T细胞的化合物或其盐，包含这种化合物或其盐的自然杀伤T细胞激活剂，以及一种药物组合物。该发明的化合物是由以下式（1）表示的化合物或其盐。最好的情况是，在式（1）中R1中的单价碳氢化合物基中的碳原子数（不包括取代基）和X1中的双价碳氢化合物基中的碳原子数总和为5至50。自然杀伤T细胞激活剂含有上述化合物或其盐。药物组合物含有上述化合物或其药理学上可接受的盐。
• Compound or salt thereof, natural killer T cell activator, and pharmaceutical composition
  申请人：KEIO UNIVERSITY

  公开号：US10919926B2

  公开（公告）日：2021-02-16

  Problems of the present invention is to provide a novel compound or a salt thereof capable of activating natural killer T cell, a natural killer T cell activating agent containing such a compound or a salt thereof, and a pharmaceutical composition. The compound of the present invention is a compound represented by the following formula (1) or a salt thereof. It is preferable that total carbon number of the number of carbon atoms in the monovalent hydrocarbon group in R1 in the formula (1) excluding a sustitutent and the number of carbon atoms in the divalent hydrocarbon group in X1 is 5 to 50. The natural killer T cell activating agent contains the aforementioned compound or a salt thereof. The pharmaceutical composition contains the aforementioned compound or a pharmacologically acceptable salt thereof.

  本发明的问题是提供一种能够激活自然杀伤 T 细胞的新型化合物或其盐，一种含有这种化合物或其盐的自然杀伤 T 细胞激活剂，以及一种药物组合物。 本发明的化合物是由下式（1）代表的化合物或其盐。在式(1)中，除去助剂的R1中一价烃基的碳原子数和X1中二价烃基的碳原子数的总碳数最好为5至50。自然杀伤 T 细胞激活剂含有上述化合物或其盐。药物组合物含有上述化合物或其药理学上可接受的盐。