3-硝基苯肼盐酸盐 | 51515-51-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3-硝基苯肼盐酸盐
• 英文名称: N,N'-{4,4'-[propane-1,3-diylbis(oxy)]bis(4,1-phenylene)}diacetamide
• 英文别名: 1,3-bis-(4-acetylamino-phenoxy)-propane；1,3-Bis-(4-acetylamino-phenoxy)-propan；1.3-Bis-(4-acetamino-phenoxy)-propan；1,3-bis-(4-acetamino-phenoxy)-propane；4',4'''-(Trimethylenedioxy)diacetanilide；N-[4-[3-(4-acetamidophenoxy)propoxy]phenyl]acetamide
• CAS: 51515-51-6
• 化学式: C₁₉H₂₂N₂O₄
• 分子量: 342.395
• InChiKey: GQLHHLBGKVCSBJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  25
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  76.7
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-硝基苯肼盐酸盐 在 盐酸 、 sodium molybdate 、 双氧水 作用下， 以 乙醇 、 水 为溶剂， 反应 3.0h， 生成
  参考文献：
  名称：

  Biological properties of amidinium sulfinic and sulfonic acid derivatives: inhibition of glycolytic enzymes of Trypanosoma brucei and protective effect on cell growth

  摘要：

  The activity of the title compounds has been investigated on two biological targets: cultures of trypanosome and glycolytic enzymes inhibition of the parasite, and on retinal epithelium cells. In both cases, these compounds exhibit a significant activity, in some cases more selective than this for the drug suramin, with a lower toxicity. The effect of these compounds, which exist as neutral and zwitterionic forms in the case of sulfinic, only as zwitterionic in the case of sulfonic derivatives can be understood via their action on clusters of positive charges which are present at the surface of the proteins involved in the processes: glycolytic enzymes of the trypanosome in the first part, basic fibroblast growth factor in the second.

  DOI：

  10.1016/0223-5234(92)90114-g
• 作为产物：
  描述：

  对硝基苯酚 在 sodium hydroxide 、 铁粉 作用下， 生成 3-硝基苯肼盐酸盐
  参考文献：
  名称：

  Goodson et al., British Journal of Pharmacology and Chemotherapy, 1948, vol. 3, p. 61

  摘要：

  DOI：

文献信息

• Nitroamines, processes for their manufacture and their use as diazo
  申请人：Hoechst Aktiengesellschaft

  公开号：US04231964A1

  公开（公告）日：1980-11-04

  Compounds of the formula ##STR1## wherein one of the pairs of substituents X and X' on the one hand and Y and Y' on the other hand stands for nitro and the other for amino and wherein n is 1 to 4, are diazo components, especially for disazo pigments of high tinctorial strength and purity of shade.

  公式为##STR1##的化合物，其中一对取代基X和X'或Y和Y'中的一个代表硝基，另一个代表氨基，而n为1到4，是重要的重氮组分，特别用于高染色力和纯度的二氮基颜料。
• QSAR modeling, synthesis and bioassay of diverse leukemia RPMI-8226 cell line active agents
  作者：Alan R. Katritzky、Adel S. Girgis、Svetoslav Slavov、Srinivasa R. Tala、Iva Stoyanova-Slavova

  DOI：10.1016/j.ejmech.2010.08.033

  日期：2010.11

  A rigorous QSAR modeling procedure employing CODESSA PRO descriptors has been utilized for the prediction of more efficient anti-leukemia agents. Experimental data concerning the effect on leukemia RPMI-8226 cell line tumor growth of 34 compounds (treated at a dose of 10 mu M) was related to their chemical structures by a 4-descriptor QSAR model. Four bis(oxy)bis-urea and bis(sulfanediyl)bis-urea derivatives (4a, 4b, 8, 11a) predicted as active by this model, together with 11b predicted to be of low activity, were synthesized and screened for anti-tumor activity utilizing 55 different tumor cell lines. Compounds 8 and 11a showed anti-tumor properties against most of the adopted cell lines with growth inhibition exceeding 50%. The highly promising preliminary anti-tumor properties of compounds 8 and 11a, were screened at serial dilutions (10(-4)-10(-8) mu M) for determination of their GI(50) and TGI against the screened human tumor cell lines. Compound 11a (GI(50) = 1.55, TGI = 8.68 mu M) is more effective than compound 8 (GI(50) = 58.30, TGI = >100 mu M) against the target leukemia RPMI-8226 cell line. Compound 11a also exhibits highly pronounced anti-tumor properties against NCI-H226, NCI-H23 (non-small cell lung cancer), COLO 205 (colon cancer), SNB-75 (CNS cancer), OVCAR-3, SK-OV-3 (ovarian cancer), A498 (renal cancer) MDA-MB-231/ATCC and MDA-MB-468 (breast cancer) cell lines (GI(50) = 1.95, 1.61, 1.38, 1.56, 1.30, 1.98, 1.18, 1.85, 1.08, TGI = 8.35, 6.01, 2.67, 8.59, 4.01, 7.01, 5.62, 6.38, 5.63 mu M, respectively). Thus 11a could be a suitable lead towards the design of broad spectrum anti-tumor active agents targeting various human tumor cell lines. (C) 2010 Elsevier Masson SAS. All rights reserved.
• Griffin; Britt; Hung, Molecular Crystals and Liquid Crystals (1969-1991), 1983, vol. 105, # 1-4, p. 305 - 314
  作者：Griffin、Britt、Hung、Steele

  DOI：——

  日期：——
• US4231964A
  申请人：——

  公开号：US4231964A

  公开（公告）日：1980-11-04
• US4683333A
  申请人：——

  公开号：US4683333A

  公开（公告）日：1987-07-28