2,4-dichloro-6-((4-methoxybenzyl)oxy)-1,3,5-triazine | 515875-87-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2,4-dichloro-6-((4-methoxybenzyl)oxy)-1,3,5-triazine
• 英文别名: 2,4-Dichloro-6-(4-methoxybenzyloxy)-[1,3,5]triazine；2,4-dichloro-6-[(4-methoxyphenyl)methoxy]-1,3,5-triazine
• CAS: 515875-87-3
• 化学式: C₁₁H₉Cl₂N₃O₂
• mdl: MFCD17135188
• 分子量: 286.117
• InChiKey: LYPAEMVLTXFXGA-UHFFFAOYSA-N

物化性质

• 沸点：
  479.5±47.0 °C(Predicted)
• 密度：
  1.418±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.181
• 拓扑面积：
  57.1
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2,4-dichloro-6-((4-methoxybenzyl)oxy)-1,3,5-triazine 在 ammonium hydroxide 作用下， 以 丙酮 为溶剂， 反应 24.0h， 以79%的产率得到C₁₁H₁₁ClN₄O₂
  参考文献：
  名称：

  Ｈｓｐ９０ 억제 활성을 갖는 신규 페녹시트리아진계 화합물 또는 이의 약제학적으로 허용가능한 염 및 이의 의학적 용도

  摘要：

  本发明涉及具有Hsp90抑制活性的新型苯氧三嗪类化合物或其药学上可接受的盐及其医药用途。所述苯氧三嗪类化合物具有优异的Hsp90抑制效果，通过抑制Hsp90可诱导Hsp90客户蛋白的分解，从而用于治疗或预防Hsp90介导的疾病，如癌症或退行性神经疾病，作为药物或保健品非常有用。

  公开号：

  KR20150004121A
• 作为产物：
  描述：

  三聚氯氰 、 4-甲氧基苄醇 在 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 2,4-dichloro-6-((4-methoxybenzyl)oxy)-1,3,5-triazine
  参考文献：
  名称：

  [EN] HETEROARYL INHIBITORS OF PLASMA KALLIKREIN
  [FR] INHIBITEURS HÉTÉROARYLE DE LA KALLICRÉINE PLASMATIQUE

  摘要：

  本发明提供了一种化合物及其组合物，可用作血浆卡利肌酶的抑制剂，并表现出相同的理想特性。

  公开号：

  WO2022197758A1

文献信息

• [EN] 4,6-DIAMINOSUBSTITUTED-2-[OXY OR AMINOXY]-[1,3,5]TRIAZINES AS PROTEIN TYROSINE KINASE INHIBITORS<br/>[FR] 4,6-DIAMINOSUBSTITUES-2-[OXY OR AMINOXY]-[1,3,5]TRIAZINES UTILISES EN TANT QU'INHIBITEURS DE LA PROTEINE TYROSINE KINASE
  申请人：DIMENSIONAL PHARM INC

  公开号：WO2004031184A1

  公开（公告）日：2004-04-15

  The invention is directed to compounds of Formulae (I, II, III) or (IV): wherein R, R1, R2, R3, A1 and A2 are set forth in the specification, as well as solvates, hydrates, tautomers or pharmaceutically acceptable salts thereof, that inhibit protein tyrosine kinases, especially VEGFR-2 (KDR), c-fms, c-met and tie-2 kinases. The invention is also directed toward methods of preparation of the compounds of Formulae (I, II, III) and (IV).

  该发明涉及具有以下化学式（I，II，III）或（IV）的化合物：其中R，R1，R2，R3，A1和A2如规范中所述，以及它们的溶剂化合物、水合物、互变异构体或药用可接受的盐，这些化合物抑制蛋白酪氨酸激酶，特别是VEGFR-2（KDR），c-fms，c-met和tie-2激酶。该发明还涉及制备具有化学式（I，II，III）和（IV）的化合物的方法。
• 4,6-Diaminosubstituted-2-[oxy or aminoxy]-[1,3,5]triazines as protein tyrosine kinase inhibitors
  申请人：——

  公开号：US20040110758A1

  公开（公告）日：2004-06-10

  The invention is directed to compounds of Formulae I, II, III or IV: 1 wherein R, R 1 , R 2 , R 3 , A 1 and A 2 are set forth in the specification, as well as solvates, hydrates, tautomers or pharmaceutically acceptable salts thereof, that inhibit protein tyrosine kinases, especially VEGFR-2 (KDR), c-fms, c-met and tie-2 kinases. The invention is also directed toward methods of preparation of the compounds of Formulae I, II, III and IV.

  本发明涉及公式I、II、III或IV的化合物：1其中R、R1、R2、R3、A1和A2如规范中所述，以及其溶剂化物、水合物、互变异构体或药学上可接受的盐，其抑制蛋白酪氨酸激酶，特别是VEGFR-2（KDR）、c-fms、c-met和tie-2激酶。本发明还涉及制备公式I、II、III和IV的化合物的方法。
• Targeting the hydrophobic region of Hsp90’s ATP binding pocket with novel 1,3,5-triazines
  作者：Taeho Lee、Young Ho Seo

  DOI：10.1016/j.bmcl.2013.09.050

  日期：2013.12

  Heat shock protein 90 (Hsp90) is a molecular chaperone that plays an important role in regulating the maturation and stabilization of many oncogenic proteins. In an attempt to discover a new class of Hsp90 inhibitors, a series of 1,3,5-triazine compounds were rationally designed, synthesized, and their biological activities were evaluated. Compound 3b was found to degrade Hsp90's client proteins of Her2, Met and Akt and to induce the expression level of Hsp70. The binding mode of 3b in the ATP-binding site of Hsp90 was predicted by the molecular docking. (C) 2013 Elsevier Ltd. All rights reserved.
• A Novel Microtubule Destabilizing Entity from Orthogonal Synthesis of Triazine Library and Zebrafish Embryo Screening
  作者：Ho-Sang Moon、Eric M. Jacobson、Sonya M. Khersonsky、Michael R. Luzung、Daniel P. Walsh、Wennan Xiong、Jae Wook Lee、Puja B. Parikh、Jennifer C. Lam、Tae-Wook Kang、Gustavo R. Rosania、Alexander F. Schier、Young-Tae Chang

  DOI：10.1021/ja026720i

  日期：2002.10.1

  The first orthogonal combinatorial synthesis of a high-purity triazine library was demonstrated. Novel triazine-based microtubule inhibitors were discovered by an efficient zebrafish embryo screening and in vitro microtubule polymerization assay.
• 4,6-DIAMINOSUBSTITUTED-2-[OXY OR AMINOXY]-[1,3,5]TRIAZINES AS PROTEIN TYROSINE KINASE INHIBITORS
  申请人：Johnson & Johnson Pharmaceutical Research & Development, Inc.

  公开号：EP1549645A1

  公开（公告）日：2005-07-06