2-Chloro-4-anilino-6-isopropylamino-1,3,5-triazine | 53773-09-4

• 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: 2-Chloro-4-anilino-6-isopropylamino-1,3,5-triazine
• 英文别名: 2-chloro-4-isopropylamino-6-anilino-1,3,5-triazine；N-phenyl-N’-isopropyl-6-chloro-[1,3,5]triazine-2,4-diamine；6-chloro-N²-isopropyl-N⁴-phenyl-[1,3,5]triazine-2,4-diyldiamine；6-Chlor-N²-isopropyl-N⁴-phenyl-[1,3,5]triazin-2,4-diyldiamin；6-chloro-N-isopropyl-N'-phenyl-[1,3,5]triazine-2,4-diamine；6-chloro-4-N-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
• CAS: 53773-09-4
• 化学式: C₁₂H₁₄ClN₅
• 分子量: 263.73
• InChiKey: GLIWCUXRQXXJHM-UHFFFAOYSA-N

物化性质

• 沸点：
  444.4±28.0 °C(Predicted)
• 密度：
  1.319±0.06 g/cm3(Predicted)
• 溶解度：
  27.3 [ug/mL]

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  62.7
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-Chloro-4-anilino-6-isopropylamino-1,3,5-triazine 以 水 、 乙腈 为溶剂， 生成 R234
  参考文献：
  名称：

  Binding of s-triazines to dissolved humic substances: Electrophoretic approaches using Affinity Capillary Electrophoresis (ACE) and Micellar Electrokinetic Chromatography (MEKC)

  摘要：

  Binding studies were conducted between s-triazines and soil and water extracted fulvic and humic acids (FA and HA) using capillary electrophoretic methods,A first approach to estimate simultaneously the affinity of several s-triazines (hydroxyatrazine, ameline, atraton and ametryn) to dissolved humic substances (HS) was done with the affinity capillary electrophoresis (ACE) modus; the limits of the ACE method resulted in the measurement of the electrophoretic mobility of the pesticide-HS complexes. In a second approach, the partition of the s-triazines between the water and the dissolved humic substances was successfully described like in micellar electrokinetic chromatography (MEKC) using the humic substances as micellar phase, Similar to surfactants, humic acids (HA) behaved like ionic micelles in the aqueous running buffer at concentrations higher than a defined ''humic critical micellar concentration'' (HCMC). The low molecular weight acidic fulvic acids (FA) behaved the same but showing higher HCMC.These results confirm the micellar properties of HS and the hydrophobic type of interaction of the s-triazines with hydrophobic sites of humic and fulvic ionic micelles. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0045-6535(97)00139-2
• 作为产物：
  描述：

  苯胺 在 碳酸氢钠 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 10.56h， 生成 2-Chloro-4-anilino-6-isopropylamino-1,3,5-triazine
  参考文献：
  名称：

  杂环类IDH突变体抑制剂、其制备方法及用途

  摘要：

  杂环类IDH突变体抑制剂、其制备方法及用途。本发明属于药物领域，具体涉及一种具有通式(I)结构特征的均三嗪类化合物或其药学上可接受的盐、药物组合物、其制备方法、以及它们作为异柠檬酸脱氢酶2(IDH2)突变体抑制剂的用途。本发明的化合物对IDH2突变体(mIDH2)活性具有明显的抑制作用，能够有效抑制mIDH2催化α‑酮戊二酸生成2‑羟基戊二酸的过程，可以用于预防和/或治疗IDH2突变所引起的包括癌症在内的各种相关疾病。

  公开号：

  CN111662242A

文献信息

• LPAAT-B inhibitors and uses thereof
  申请人：CELL THERAPEUTICS,INC.

  公开号：US20020103195A1

  公开（公告）日：2002-08-01

  The invention relates to triazines and the use thereof to inhibit lysophosphatidic acid acyltransferase &bgr; (LPAAT-&bgr;) activity. The invention further relates to methods of treating cancer using said triazines. The invention also relates to methods for screening for LPAAT-&bgr; activity.

  该发明涉及三嗪类化合物及其用于抑制溶磷脂酸酰基转移酶β（LPAAT-β）活性的用途。该发明还涉及使用这些三嗪类化合物治疗癌症的方法。该发明还涉及筛选LPAAT-β活性的方法。
• LPAAT-beta inhibitors and uses thereof
  申请人：Cell Therapeutics, Inc.

  公开号：US20030100557A1

  公开（公告）日：2003-05-29

  The invention relates to triazines and the use thereof to inhibit lysophosphatidic acid acyltransferase &bgr; (LPAAT-&bgr;) activity. The invention further relates to methods of treating cancer using said triazines. The invention also relates to methods for screening for LPAAT-&bgr; activity.

  本发明涉及三嗪类化合物及其用于抑制溶血磷脂酸酰转移酶β（LPAAT-β）活性的用途。本发明还涉及使用所述三嗪类化合物治疗癌症的方法。本发明还涉及筛选LPAAT-β活性的方法。
• 2,4,6-Triamino-1,3,5-triazine derivative
  申请人：Kubota Hideki

  公开号：US20060194803A1

  公开（公告）日：2006-08-31

  This invention relates to an anti-dementia agent which uses a BEC 1 potassium channel inhibitor as the active ingredient. It was proved that the BEC 1 potassium channel inhibitor has an action to improve learning disorder and is useful as a preventive or therapeutic agent for diseases, preferably dementia, in which the BEC 1 potassium channel is considered to be concerned. Illustratively, it was confirmed by an in vivo test that the BEC 1 potassium channel inhibitor has an action to improve learning disorder. Also, it was found that a compound having 2,4,6-triamino-1,3,5-triazine has a BEC 1 potassium channel inhibitory action.

  本发明涉及一种使用BEC 1钾通道抑制剂作为活性成分的抗痴呆剂。证明了BEC 1钾通道抑制剂具有改善学习障碍的作用，并且作为预防或治疗剂，特别是在BEC 1钾通道被认为与疾病，尤其是痴呆症有关的情况下具有用处。例如，通过体内试验证实了BEC 1钾通道抑制剂具有改善学习障碍的作用。此外，还发现一种具有2,4,6-三氨基-1,3,5-三嗪的化合物具有BEC 1钾通道抑制作用。
• LPAAT-BETA INHIBITORS AND USES THEREOF
  申请人：BONHAM Lynn

  公开号：US20100189726A1

  公开（公告）日：2010-07-29

  The invention relates to triazines and the use thereof to inhibit lysophosphatidic acid acyltransferase β (LPAAT-β) activity. The invention further relates to methods of treating cancer using said triazines. The invention also relates to methods for screening for LPAAT-β activity.

  该发明涉及三嗪及其用于抑制溶血磷脂酸酰转移酶β（LPAAT-β）活性的用途。该发明还涉及使用该三嗪治疗癌症的方法。该发明还涉及筛选LPAAT-β活性的方法。
• 2,4,6-TRIAMINO-1,3,5-TRIAZINE DERIVATIVE
  申请人：Astellas Pharma Inc.

  公开号：EP1479397B1

  公开（公告）日：2011-06-08