N,N,N',N'-Tetrakis-<2-hydroxy-ethyl>-methylendiamin | 10251-46-4

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N,N,N',N'-Tetrakis-<2-hydroxy-ethyl>-methylendiamin
• 英文别名: 2,2',2'',2'''-(Methylenedinitrilo)tetra(ethan-1-ol)；2-[[bis(2-hydroxyethyl)amino]methyl-(2-hydroxyethyl)amino]ethanol
• CAS: 10251-46-4
• 化学式: C₉H₂₂N₂O₄
• 分子量: 222.285
• InChiKey: AGDFIEFNOPOTPA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.5
• 重原子数：
  15
• 可旋转键数：
  10
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  87.4
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  N,N,N',N'-Tetrakis-<2-hydroxy-ethyl>-methylendiamin 、 苯甲酰氯 在 sodium hydroxide 作用下， 生成 N,N,N',N'-Tetrakos-(2-benzoyloxy-aethyl)-methylendiamin
  参考文献：
  名称：

  Varma,B.K.; Lal,A.B., Journal of the Indian Chemical Society, 1966, vol. 43, # 6, p. 416 - 420

  摘要：

  DOI：
• 作为产物：
  描述：

  聚合甲醛 、 二乙醇胺 以 溶剂黄146 为溶剂， 生成 N,N,N',N'-Tetrakis-<2-hydroxy-ethyl>-methylendiamin
  参考文献：
  名称：

  Varma,B.K.; Lal,A.B., Journal of the Indian Chemical Society, 1966, vol. 43, # 6, p. 416 - 420

  摘要：

  DOI：

文献信息

• PROCESS FOR PRODUCING SIDE PRODUCT-FREE AMINOCARBOXYLATES
  申请人：Baumann Robert

  公开号：US20110257431A1

  公开（公告）日：2011-10-20

  The present invention relates to a process for preparing aminocarboxylates, proceeding from amines, by employing a reaction sequence composed of ethoxylation to amino alcohols and subsequent oxidative dehydrogenation to the corresponding aminocarboxylates, especially the alkali metal or alkaline earth metal salts of the complexing agents MGDA (methylglycinediacetic acid), EDTA (ethylenediaminetetra-acetic acid) and GLDA (glutamic acid diacetic acid) or the free acids thereof.

  本发明涉及一种制备氨基羧酸盐的方法，该方法从胺出发，采用乙氧基化到氨基醇，然后氧化脱氢到相应的氨基羧酸盐，特别是MGDA（甲基甘氨酸二乙酸）、EDTA（乙二胺四乙酸）和GLDA（谷氨酸二乙酸）或其自由酸的配位剂的碱金属或碱土金属盐。
• Benzothiazole and Chromone Derivatives as Potential ATR Kinase Inhibitors and Anticancer Agents
  作者：Mykhaylo Frasinyuk、Dimple Chhabria、Victor Kartsev、Haritha Dilip、Samvel N. Sirakanyan、Sivapriya Kirubakaran、Anthi Petrou、Athina Geronikaki、Domenico Spinelli

  DOI：10.3390/molecules27144637

  日期：——

  Despite extensive studies and the great variety of existing anticancer agents, cancer treatment remains an aggravating and challenging problem. Therefore, the development of novel anticancer drugs with a better therapeutic profile and fewer side effects to combat this persistent disease is still necessary. In this study, we report a novel series of benzothiazole and chromone derivatives that were synthesized and evaluated for their anticancer activity as an inhibitor of ATR kinase, a master regulator of the DDR pathway. The cell viability of a set of 25 compounds was performed using MTT assay in HCT116 and HeLa cell lines, involving 72 h incubation of the compounds at a final concentration of 10 µM. Cells incubated with compounds 2c, 7h and 7l were found to show viability ≤50%, and were taken forward for dose–response studies. Among the tested compounds, three of them (2c, 7h and 7l) showed higher potency, with compound 7l exhibiting the best IC50 values in both the cell lines. Compounds 2c and 7l were found to be equally cytotoxic towards both the cell lines, namely, HCT116 and HeLa, while compound 7h showed better cytotoxicity towards HeLa cell line. For these three compounds, an immunoblot assay was carried out in order to analyze the inhibition of phosphorylation of Chk1 at Ser 317 in HeLa and HCT116 cells. Compound 7h showed inhibition of pChk1 at Ser 317 in HeLa cells at a concentration of 3.995 µM. Further analysis for Chk1 and pChk1 expression was carried out in Hela cells by treatment against all the three compounds at a range of concentrations of 2, 5 and 10 µM, wherein compound 7h showed Chk1 inhibition at 2 and 5 µM, while pChk1 expression was observed for compound 7l at a concentration of 5 µM. To support the results, the binding interactions of the compounds with the ATR kinase domain was studied through molecular docking, wherein compounds 2c, 7h and 7l showed binding interactions similar to those of Torin2, a known mTOR/ATR inhibitor. Further studies on this set of molecules is in progress for their specificity towards the ATR pathway.

  尽管进行了广泛的研究并存在许多不同的抗癌剂，但癌症治疗仍然是一个严重和具有挑战性的问题。因此，开发具有更好治疗效果和更少副作用的新型抗癌药物以对抗这种持久的疾病仍然是必要的。在本研究中，我们报道了一系列新型苯并噻唑和色酮衍生物，这些衍生物被合成并评估其作为DDR途径的主调节因子ATR激酶抑制剂的抗癌活性。使用MTT测定法在HCT116和HeLa细胞系中对25种化合物的细胞存活率进行了测试，这涉及到将化合物在最终浓度为10µM的条件下孵育72小时。发现孵育化合物2c、7h和7l的细胞的存活率≤50％，因此这些化合物被用于剂量反应研究。在测试的化合物中，其中三种（2c、7h和7l）显示出更高的效力，其中化合物7l在两种细胞系中都表现出最佳的IC50值。发现化合物2c和7l对HCT116和HeLa两种细胞系同样具有细胞毒性，而化合物7h对HeLa细胞系的细胞毒性更好。对于这三种化合物，进行了免疫印迹分析，以分析在HeLa和HCT116细胞中Chk1在Ser 317处的磷酸化抑制。发现化合物7h在3.995µM的浓度下可抑制HeLa细胞中的pChk1在Ser 317处的磷酸化。在用各种浓度的3种化合物（2、5和10µM）处理HeLa细胞时，进一步分析了Chk1和pChk1的表达，其中化合物7h在2和5µM的浓度下表现出Chk1的抑制作用，而化合物7l在5µM的浓度下观察到pChk1的表达。为了支持这些结果，通过分子对接研究了化合物与ATR激酶结构域的结合相互作用，发现化合物2c、7h和7l的结合相互作用类似于已知的mTOR/ATR抑制剂Torin2。对这组分子的进一步研究正在进行，以了解它们对ATR途径的特异性。
• Treatment of hydrocarbons Containing Sulfides
  申请人：Clearwater, Inc.

  公开号：US20020157989A1

  公开（公告）日：2002-10-31

  Potassium formate is used together with a sulfide scavenger to remove and otherwise treat sulfhydryl compounds such as hydrogen sulfide present in hydrocarbons and aqueous substrates

  甲酸钾与硫化物清除剂一起使用，可清除或以其他方式处理烃类和水基质中的硫化氢等巯基化合物
• Acyclic enediynes fused to triazole and benzothiophene containing propargylamine moieties
  作者：Anastasia I. Govdi、Sergey O. Anisimov、Natalia A. Danilkina、Alexander S. Bunev、Irina A. Balova

  DOI：10.1016/j.mencom.2023.04.010

  日期：2023.5
• METHODS FOR REGENERATING A SULFUR SCAVENGING COMPOUND FROM A PRODUCT OF A SULFUR SCAVENGING REACTION
  申请人：QUAKER CHEMICAL CORPORATION

  公开号：EP0640066A1

  公开（公告）日：1995-03-01