(4-chloro-benzyl)-(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-amine | 5441-46-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡唑并嘧啶类
• 英文名称: (4-chloro-benzyl)-(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-amine
• 英文别名: (4-Chlor-benzyl)-(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-amin；N-[(4-Chlorophenyl)methyl]-1-Methyl-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine；N-[(4-chlorophenyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
• CAS: 5441-46-3
• 化学式: C₁₃H₁₂ClN₅
• 分子量: 273.725
• InChiKey: JMHQWHUUDRUTPU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  55.6
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• PYRAZOLOPYRIMIDINE ANTIBACTERIAL AGENTS
  申请人：BOARD OF TRUSTEES OF NORTHERN ILLINOIS UNIVERSITY

  公开号：US20170355700A1

  公开（公告）日：2017-12-14

  Pyrazolopyrimidine compounds for inhibition of isoprenoid biosynthesis have a formula (I) or a pharmaceutically acceptable salt thereof. In formula (I), R 1 includes an alkyl group and R 2 includes an optionally substituted moiety selected from the group consisting of an optionally substituted benzyl group, an optionally substituted phenethyl group, an optionally substituted ethanol group, an optionally substituted ethyl acetate group, an optionally substituted methyl furan group, an optionally substituted 3-ethyl indole group, and a lower alkyl group. Compositions containing pyrazolopyrimidine compounds and methods for using pyrazolopyrimidine compounds are described.

  吡唑吡咯嘧啶类化合物用于抑制异戊二烯生物合成，其化学式（I）或其药学上可接受的盐。在式（I）中，R1包括一个烷基基团，R2包括一个从可选取的苯甲基基团、可选取的苯乙基基团、可选取的乙醇基团、可选取的乙酸乙酯基团、可选取的甲基呋喃基团、可选取的3-乙基吲哚基团和较低烷基基团中选择的可选取的取代基团。描述了含有吡唑吡咯嘧啶类化合物的组合物和使用吡唑吡咯嘧啶类化合物的方法。
• Oxadiazole and phenol derivatives as antibacterial and/or herbicidal agents
  申请人：NORTHERN ILLINOIS RESEARCH FOUNDATION

  公开号：US11026426B2

  公开（公告）日：2021-06-08

  Compounds of formula I and II are described. In formulae I and II, X is —NH— or —S— and Y is —CH═ or —N═. In formula I, Z is C1-C6 alkylene, C2-C6 alkenylene, C6-C10 arylene, or C3-C6 cycloalkylene, or Z is absent. In formula I, R is hydrogen, halogen, —OH, —NO2, C1-C6 alkyl, C2-C6 alkenyl, C6-C10aryl, —O(C1-C6 alkyl), or —O(C6-C10 aryl), wherein each hydrogen atom in C1-C6 alkyl, C2-C6 alkenyl, C6-C10 aryl, —O(C1-C6 alkyl), and —O(C6-C10 aryl) is independently optionally substituted by halogen, —OH, or —NO2. In formula II, R1, R2, R3, and R4 are each independently hydrogen, halogen, —OH, —NO2, C1-C6 alkyl, C2-C6 alkenyl, or C6-C10 aryl, wherein each hydrogen atom in C1-C6 alkyl, C2-C6 alkenyl, and C6-C10 aryl is independently optionally substituted by halogen, —OH, or —NO2. Methods of inhibiting bacteria are also described.

  式 I 的化合物 和 II 所述。在式 I 和 II 中，X 是-NH-或-S-，Y 是-CH═或-N═。在式 I 中，Z 是 C1-C6 亚烷基、C2-C6 烯基、C6-C10 芳基或 C3-C6 环亚烷基，或不含 Z。在式 I 中，R 是氢、卤素、-OH、-NO2、C1-C6 烷基、C2-C6 烯基、C6-C10 芳基、-O(C1-C6 烷基)或-O(C6-C10 芳基)，其中 C1-C6 烷基、C2-C6 烯基、C6-C10 芳基、-O(C1-C6 烷基)和-O(C6-C10 芳基)中的每个氢原子独立地任选被卤素、-OH 或-NO2 取代。在式 II 中，R1、R2、R3 和 R4 各自独立地为氢、卤素、-OH、-NO2、C1-C6 烷基、C2-C6 烯基或 C6-C10 芳基，其中 C1-C6 烷基、C2-C6 烯基和 C6-C10 芳基中的每个氢原子独立地任选被卤素、-OH 或 -NO2 取代。还描述了抑制细菌的方法。