6-(5-CHLORO-2-METHYL-PHENYL)-N-(4-ETHYL-PHENYL)-[1,3,5]TRIAZINE-2,4-DIAMINE | 521064-71-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪类
• 英文名称: 6-(5-CHLORO-2-METHYL-PHENYL)-N-(4-ETHYL-PHENYL)-[1,3,5]TRIAZINE-2,4-DIAMINE
• 英文别名: 6-(5-chloro-2-methylphenyl)-2-N-(4-ethylphenyl)-1,3,5-triazine-2,4-diamine
• CAS: 521064-71-1
• 化学式: C₁₈H₁₈ClN₅
• 分子量: 339.827
• InChiKey: XDULXZQUMSTPEX-UHFFFAOYSA-N

物化性质

• 沸点：
  573.9±60.0 °C(Predicted)
• 密度：
  1.288±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  76.7
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2,4-dichloro-6-(5-chloro-2-methyl-phenyl)-[1,3,5]triazine 、 4-乙基苯胺 以58%的产率得到6-(5-CHLORO-2-METHYL-PHENYL)-N-(4-ETHYL-PHENYL)-[1,3,5]TRIAZINE-2,4-DIAMINE
  参考文献：
  名称：

  Aryl triazines as LPAAT-SS inhibitors and uses thereof

  摘要：

  本发明涉及芳基三嗪及其用途，包括用于抑制溶血磷脂酸酰基转移酶β（LPAAT-β）活性和/或诸如肿瘤细胞的细胞增殖。

  公开号：

  US20030153570A1

文献信息

• [EN] 6-PHENYL-N-PHENYL-(1,3,5) -TRIAZINE-2,4-DIAMINE DERIVATIVES AND RELATED COMPOUNDS WITH LYSOPHPHOSPHATIDIC ACID ACYLTRANSFERASE BETA (LPAAT-BETA) INHIBITORY ACTIVITY FOR USE IN THE TREATMENT OF CANCER<br/>[FR] DERIVES DE 6-PHENYL-N-PHENYL-(1,3,5)-TRIAZINE-2,4-DIAMINE ET COMPOSES APPARENTES AYANT UN EFFET INHIBITEUR DE L'ACIDE LYSOPHOSPHATIDIQUE ACYLTRANSFERASE BETA (LPAAT-BETA) ET DESTINES A ETRE UTILISES POUR TRAITER LE CANCER
  申请人：CELL THERAPEUTICS INC

  公开号：WO2003037346A1

  公开（公告）日：2003-05-08

  The invention relates to aryl triazines and uses thereof, including to inhibit lysophosphatidic acid acyltransferase β (LPAAT-β) activity and/or proliferation of cells such as tumor cells, where R1-R5 are hydrogen or non-ydrogen substituents, and Q is a heteroatom or heteroatom attached to one or more methylene groups.

  该发明涉及芳基三嗪及其用途，包括抑制溶血磷脂酸酰转移酶β（LPAAT-β）活性和/或细胞增殖，如肿瘤细胞，其中R1-R5是氢或非氢取代基，Q是杂原子或附加在一个或多个亚甲基基团上的杂原子。
• Aryl triazines as LPAAT-beta inhibitors and uses thereof
  申请人：Bhatt Rama

  公开号：US20080064700A1

  公开（公告）日：2008-03-13

  The invention relates to aryl triazines and uses thereof, including to inhibit lysophosphatidic acid acyltransferase β (LPAAT-β) activity and/or proliferation of cells such as tumor cells.

  本发明涉及芳基三嗪及其用途，包括抑制溶血磷脂酸酰转移酶β（LPAAT-β）活性和/或细胞增殖，例如肿瘤细胞。
• Treatment of viral infections by modulation of host cell metabolic pathways
  申请人：Munger Josh

  公开号：US20090239830A1

  公开（公告）日：2009-09-24

  Alterations of certain metabolite concentrations and fluxes that occur in response to viral infection are described. Host cell enzymes in the involved metabolic pathways are selected as targets for intervention; i.e., to restore metabolic flux to disadvantage viral replication, or to further derange metabolic flux resulting in “suicide” of viral-infected cells (but not uninfected cells) in order to limit viral propagation. While any of the enzymes in the relevant metabolic pathway can be selected, pivotal enzymes at key control points in these metabolic pathways are preferred as candidate antiviral drug targets. Inhibitors of these enzymes are used to reverse, or redirect, the effects of the viral infection. Drug candidates are tested for antiviral activity using screening assays in vitro and host cells, as well as in animal models. Animal models are then used to test efficacy of candidate compounds in preventing and treating viral infections. The antiviral activity of enzyme inhibitors is demonstrated.

  描述了在病毒感染时发生的某些代谢物浓度和通量的改变。选择涉及代谢途径的宿主细胞酶作为干预靶点；即恢复代谢通量以不利于病毒复制，或进一步扰乱代谢通量导致病毒感染细胞的“自杀”（但不包括未感染的细胞），以限制病毒传播。虽然可以选择相关代谢途径中的任何酶，但是在这些代谢途径中关键控制点的关键酶更适合作为候选抗病毒药物靶点。使用这些酶的抑制剂来逆转或重定向病毒感染的影响。使用体外筛选分析和宿主细胞以及动物模型测试药物候选物的抗病毒活性。然后使用动物模型测试候选化合物在预防和治疗病毒感染方面的功效。证明了酶抑制剂的抗病毒活性。
• TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS
  申请人：MUNGER Josh

  公开号：US20130065850A1

  公开（公告）日：2013-03-14

  Alterations of certain metabolite concentrations and fluxes that occur in response to viral infection are described. Host cell enzymes in the involved metabolic pathways are selected as targets for intervention; i.e., to restore metabolic flux to disadvantage viral replication, or to further derange metabolic flux resulting in “suicide” of viral-infected cells (but not uninfected cells) in order to limit viral propagation. While any of the enzymes in the relevant metabolic pathway can be selected, pivotal enzymes at key control points in these metabolic pathways are preferred as candidate antiviral drug targets. Inhibitors of these enzymes are used to reverse, or redirect, the effects of the viral infection. Drug candidates are tested for antiviral activity using screening assays in vitro and host cells, as well as in animal models. Animal models are then used to test efficacy of candidate compounds in preventing and treating viral infections. The antiviral activity of enzyme inhibitors is demonstrated.

  描述了某些代谢物浓度和通量的改变，这些改变是对病毒感染的反应。选择参与代谢途径的宿主细胞酶作为干预的目标，即恢复代谢通量以削弱病毒复制，或进一步扰乱代谢通量导致病毒感染细胞的“自杀”（但不包括未感染的细胞），以限制病毒传播。虽然可以选择相关代谢途径中的任何酶，但是在这些代谢途径的关键控制点上的关键酶被优先选择作为候选抗病毒药物靶点。使用这些酶的抑制剂来扭转或重定向病毒感染的影响。通过体外和宿主细胞的筛选试验以及动物模型来测试药物候选物的抗病毒活性。然后使用动物模型来测试候选化合物在预防和治疗病毒感染方面的功效。证明了酶抑制剂的抗病毒活性。
• US7291616B2
  申请人：——

  公开号：US7291616B2

  公开（公告）日：2007-11-06