4-amino-2,6-bis(diethylaminomethyl)phenol | 51388-09-1

• 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: 4-amino-2,6-bis(diethylaminomethyl)phenol
• 英文别名: 4-Amino-2,6-bis[(diethylamino)methyl]phenol
• CAS: 51388-09-1
• 化学式: C₁₆H₂₉N₃O
• 分子量: 279.426
• InChiKey: DZBFFMHEDMTATL-UHFFFAOYSA-N

物化性质

• 熔点：
  132-134 °C
• 沸点：
  392.2±42.0 °C(Predicted)
• 密度：
  1.037±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  20
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  52.7
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-amino-2,6-bis(diethylaminomethyl)phenol 、 3-溴-8-氯-1,5-萘啶 在 盐酸 作用下， 以 甲醇 为溶剂， 反应 8.0h， 生成 4-(7'-bromo-1',5'-naphthyridin-4'-ylamino)-2,6-bis(diethylaminomethyl)phenol
  参考文献：
  名称：

  Barlin, Gordon B.; Ireland, Stephen J., Australian Journal of Chemistry, 1988, vol. 41, # 11, p. 1727 - 1734

  摘要：

  DOI：
• 作为产物：
  描述：

  4-乙酰胺-2-二乙氨甲基苯酚 在 盐酸 、 乙醇 作用下， 生成 4-amino-2,6-bis(diethylaminomethyl)phenol
  参考文献：
  名称：

  Stawrowskaja, Zhurnal Obshchei Khimii, 1955, vol. 25, p. 951,955; engl. Ausg. S. 915, 919

  摘要：

  DOI：

文献信息

• Potential Antimalarials. IX. Di-mannich Bases of 4-(7′-trifluoro-methylquinazolin-4′-ylamino)phenol and 4-(7′-Trifluoromethylquinolin-4′-ylamino)phenol
  作者：GB Barlin、C Jiravinyu

  DOI：10.1071/ch9900311

  日期：——

  Syntheses are reported for a series of di-Mannich bases of 4-(7′-trifluoromethylquinazolin-4′-ylamino)phenol derived from 4-chloro-7-trifluoromethylquinazoline with the di-Mannich bases of 4-aminophenol. Some analogous quinolines were prepared similarly. When tested for antimalarial activity against Plasmodium falciparum in vitro, the quinazolines were rather less active than the corresponding quinolines.

  报告了一系列 4-(7′-三氟甲基喹唑啉-4′-基氨基)苯酚二曼尼希碱的合成，这些苯酚二曼尼希碱来自 4-氯-7-三氟甲基喹唑啉和 4-氨基苯酚的二曼尼希碱。一些类似的喹啉类化合物也是用类似方法制备的。在对恶性疟原虫进行体外抗疟活性测试时，这些喹唑啉类化合物的活性比相应的喹啉类化合物低。
• [EN] TLR7/8 ANTAGONISTS AND USES THEREOF<br/>[FR] ANTAGONISTES DE TLR7/8 ET LEURS UTILISATIONS
  申请人：MERCK PATENT GMBH

  公开号：WO2021257273A1

  公开（公告）日：2021-12-23

  The present invention relates to compounds of the invention and pharmaceutically acceptable compositions thereof, useful as TLR7/8 antagonists.

  本发明涉及本发明化合物及其药学上可接受的组合物，用作TLR7/8拮抗剂。
• Design, synthesis and evaluation of 5-substituted amino-2,4-diamino-8-chloropyrimido-[4,5-b]quinolines as novel antimalarials
  作者：Advait A. Joshi、Sachin S. Narkhede、C.L. Viswanathan

  DOI：10.1016/j.bmcl.2004.10.037

  日期：2005.1

  Novel 5-substituted amino-2,4-diamino-8-chloropyrimido-[4,5-b]quinolines were designed based on a pharmacophore developed for potent antimalarial activity using Chem-X and MOE softwares. The designed molecules were synthesized by following a novel route and were evaluated by Rane's test for blood schizonticidal activity in mice infected by Plasmodium berghei. Based on the Mean Survival Time (MST) data, of the nine compounds evaluated, three had curative potential when compared with chloroquine. (C) 2004 Elsevier Ltd. All rights reserved.
• Barlin, Gordon B.; Nguyen, Trang M. T.; Kotecka, Barbara, Australian Journal of Chemistry, 1993, vol. 46, # 1, p. 21 - 29
  作者：Barlin, Gordon B.、Nguyen, Trang M. T.、Kotecka, Barbara、Rieckmann, Karl H.

  DOI：——

  日期：——
• Mahesh; Perumal, R. Venkatesha, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2004, vol. 43, # 5, p. 1012 - 1014
  作者：Mahesh、Perumal, R. Venkatesha

  DOI：——

  日期：——