6-(chloromethyl)-N2-(naphthalen-2-yl)-1,3,5-triazine-2,4-diamine | 644959-97-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 6-(chloromethyl)-N2-(naphthalen-2-yl)-1,3,5-triazine-2,4-diamine
• 英文别名: 6-(chloromethyl)-2-N-naphthalen-2-yl-1,3,5-triazine-2,4-diamine
• CAS: 644959-97-7
• 化学式: C₁₄H₁₂ClN₅
• 分子量: 285.736
• InChiKey: TUHLIPYSHRIRKP-UHFFFAOYSA-N

物化性质

• 溶解度：
  29.3 [ug/mL]

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  76.7
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  羟甲香豆素 、 6-(chloromethyl)-N2-(naphthalen-2-yl)-1,3,5-triazine-2,4-diamine 在 potassium carbonate 、 sodium iodide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以20.0 %的产率得到7-((4-amino-6-(naphthalen-2-ylamino)-1,3,5-triazin-2-yl)methoxy)-4-methyl-2H-chromen-2-one
  参考文献：
  名称：

  Optimization of First-in-Class Dual-Acting FFAR1/FFAR4 Allosteric Modulators with Novel Mode of Action

  摘要：

  DOI：

  10.1021/acsmedchemlett.2c00160

文献信息

• ISOTHIOCYANATE-ANDROGEN RECEPTOR INHIBITOR CONJUGATES FOR APOPTOSIS AND/OR FERROPTOSIS INDUCTION IN CANCER CELLS
  申请人：WAYNE STATE UNIVERSITY

  公开号：US20210106571A1

  公开（公告）日：2021-04-15

  Isothiocyanate (ITC)-androgen receptor (AR) inhibitor conjugates for apoptosis induction in cancer cells are described. The conjugates can have electrophilicity blocked with an agent such as N-acetyl cysteine. When administered in combination with a glutathione (GSH)-depleting agent, the conjugates result in ferroptosis of cancer cells.

  描述了用于在癌细胞中诱导凋亡的异硫氰酸酯（ITC）-雄激素受体（AR）抑制剂结合物。这些结合物的亲电性可以通过N-乙酰半胱氨酸等试剂进行阻断。当与谷胱甘肽（GSH）耗竭剂联合使用时，这些结合物会导致癌细胞的铁死亡。
• QUINAZOLINONE-BASED ONCOGENIC-RAS-SELECTIVE LETHAL COMPOUNDS AND THEIR USE
  申请人：THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

  公开号：US20150175558A1

  公开（公告）日：2015-06-25

  The present invention provides, inter alia, compounds having the structure (1) compositions containing such compounds are also provided. Methods for using such compounds or compositions for treating or ameliorating the effects of a cancer having a cell that harbors an oncogenic RAS mutation, for modulating a lipoxygenase in a ferroptosis cell death pathway, and for depleting reduced glutathione (GSH) in a cell harboring an oncogenic RAS mutation are further provided.

  本发明提供了结构为（1）的化合物，还提供了含有这种化合物的组合物。还提供了使用这种化合物或组合物治疗或改善携带致癌RAS突变细胞的癌症的影响，调节铁死亡细胞途径中的脂氧合酶，以及耗竭携带致癌RAS突变细胞的还原型谷胱甘肽（GSH）的方法。
• Combination cancer therapy with pentaaza macrocyclic ring complex and ascorbate compound
  申请人：Galera Labs, LLC

  公开号：US11219614B2

  公开（公告）日：2022-01-11

  A method of treating cancer in a subject includes administering an active agent selected from ascorbic acid, an ascorbic acid derivative, and/or a pharmaceutically acceptable salt thereof and administering a pentaaza macrocyclic ring complex corresponding to formula (I) below:

  一种治疗受试者癌症的方法包括施用选自抗坏血酸、抗坏血酸衍生物和/或其药学上可接受的盐的活性剂，以及施用与下式（I）相对应的五氮杂大环环络合物：
• COMBINATION THERAPY FOR CANCER TREATMENT
  申请人：Galera Labs, LLC

  公开号：US20190151331A1

  公开（公告）日：2019-05-23

  A method of treating cancer in a subject includes administering at least one active agent including one or more of a thioredoxin reductase inhibitor and a glutathione depleting agent, and administering a pentaaza macrocyclic ring complex corresponding to formula (I) below:
• COMBINATION CANCER THERAPY WITH PENTAAZA MACROCYCLIC RING COMPLEX AND ASCORBATE COMPOUND
  申请人：Galera Labs, LLC

  公开号：US20190209524A1

  公开（公告）日：2019-07-11

  A method of treating cancer in a subject includes administering an active agent selected from ascorbic acid, an ascorbic acid derivative, and/or a pharmaceutically acceptable salt thereof and administering a pentaaza macrocyclic ring complex corresponding to formula (I) below: