3-nitro-N-(pyridin-2-ylmethyl)benzenesulfonamide | 309726-30-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-nitro-N-(pyridin-2-ylmethyl)benzenesulfonamide
• 英文别名: 3-nitro-N-pyridin-2-ylmethyl-benzenesulfonamide
• CAS: 309726-30-5
• 化学式: C₁₂H₁₁N₃O₄S
• 分子量: 293.303
• InChiKey: TXDLKPNUCIACMU-UHFFFAOYSA-N

物化性质

• 沸点：
  492.3±55.0 °C(Predicted)
• 密度：
  1.425±0.06 g/cm3(Predicted)
• 溶解度：
  41.2 [ug/mL]

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  113
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3-nitro-N-(pyridin-2-ylmethyl)benzenesulfonamide 在 钯 、 ethyl acetate n-hexane 、 title compound 作用下， 以 甲醇 为溶剂， 生成 3-amino-N-(pyridin-2-ylmethyl)benzenesulfonamide
  参考文献：
  名称：

  Pyrazolo-pyrimidine derivatives

  摘要：

  本发明涉及式（I）的化合物，其中R1，R2，R3，R4，R5和p如描述中所定义，以及其药学上可接受的盐，含有这种化合物的制药组合物，制造这种化合物和组合物的方法，以及通过给予这种化合物治疗或预防急性和/或慢性中枢神经系统疾病的方法。

  公开号：

  US07378417B2
• 作为产物：
  描述：

  2-氨甲基吡啶 、 3-硝基苯磺酰氯 在 sodium carbonate 作用下， 以 二氯甲烷 为溶剂， 以81%的产率得到3-nitro-N-(pyridin-2-ylmethyl)benzenesulfonamide
  参考文献：
  名称：

  Novel 1,4-naphthoquinone-based sulfonamides: Synthesis, QSAR, anticancer and antimalarial studies

  摘要：

  A novel series of 1,4-naphthoquinones (33-44) tethered by open and closed chain sulfonamide moieties were designed, synthesized and evaluated for their cytotoxic and antimalarial activities. All quinone-sulfonamide derivatives displayed a broad spectrum of cytotoxic activities against all of the tested cancer cell lines including HuCCA-1, HepG2, A549 and MOLT-3. Most quinones (33-36 and 38-43) exerted higher anticancer activity against HepG2 cell than that of the etoposide. The open chain analogs 36 and 42 were shown to be the most potent compounds. Notably, the restricted sulfonamide analog 38 with 6,7-dimethoxy groups exhibited the most potent antimalarial activity (IC50 = 2.8 mu M). Quantitative structure activity relationships (QSAR) study was performed to reveal important chemical features governing the biological activities. Five constructed QSAR models provided acceptable predictive performance (R-cv, 0.5647-0.9317 and RMSEcv 0.1231-0.2825). Four additional sets of structurally modified compounds were generated in silico (34a-34d, 36a-36k, 40a-40d and 42a-42k) in which their activities were predicted using the constructed QSAR models. A comprehensive discussion of the structure activity relationships was made and a set of promising compounds (i.e., 33, 36, 38, 42, 36d, 36f, 42e, 42g and 42f) was suggested for further development as anticancer and antimalarial agents. (C) 2015 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2015.09.001

文献信息

• [EN] PYRRAZOLO-PYRIMIDINE DERIVATIVES<br/>[FR] DERIVES DE PYRRAZOLO-PYRIMIDINE
  申请人：HOFFMANN LA ROCHE

  公开号：WO2005123738A1

  公开（公告）日：2005-12-29

  The invention relates to compounds of formula (I) wherein R1, R2, R3, R4, R5 and p are as defined in the description and claims as well as to pharmaceutically acceptable salts thereof per se and as pharmaceutically active substances, their manufacture, medicaments based on a compound in accordance with the invention and their production, as well as the use of the compounds in accordance with the invention in the control or prevention of illnesses of the aforementioned kind, and, respectively, for the production of corresponding medicaments.

  该发明涉及公式（I）中R1、R2、R3、R4、R5和p的化合物，其中这些参数在说明和权利要求中有定义，以及其药学上可接受的盐本身和作为药用活性物质，其制备方法，基于与该发明相符合的化合物的药物，以及它们的生产，以及在控制或预防上述疾病方面使用与该发明相符合的化合物，以及分别用于生产相应的药物。
• [EN] PROBES FOR DETECTION OF COPPER<br/>[FR] SONDES POUR LA DÉTECTION DE CUIVRE
  申请人：UNIV CALIFORNIA

  公开号：WO2020226972A1

  公开（公告）日：2020-11-12

  The present disclosure provides Förster resonance energy transfer (FRET)-based probes for detecting copper, e.g., for detecting Cu(I) in live cells. The present disclosure provides methods for detecting copper, e.g., for detecting Cu(I) in live cells, using a FRET-based probe of the present disclosure.

  本公开提供了一种基于Förster共振能量转移（FRET）的探针，用于检测铜，例如，用于检测活细胞中的Cu(I)。本公开提供了使用本公开的FRET探针检测铜的方法，例如用于检测活细胞中的Cu(I)。
• Pyrazolo-pyrimidine derivatives
  申请人：Goetschi Erwin

  公开号：US20050282827A1

  公开（公告）日：2005-12-22

  The invention relates to compounds of formula (I) wherein R 1 , R 2 , R 3 , R 4 , R 5 and p are as defined in the description and to pharmaceutically acceptable salts thereof, to pharmaceutical compositions containing such compounds, to the manufacture of such compounds and compositions, and to methods of treating or preventing acute and/or chronic central nervous system disorders by administering such compounds.

  本发明涉及公式(I)的化合物，其中R1、R2、R3、R4、R5和p如描述中所定义的，并且涉及其药学上可接受的盐，含有这种化合物的制药组合物，制造这种化合物和组合物的方法，以及通过给予这种化合物来治疗或预防急性和/或慢性中枢神经系统疾病的方法。
• PYRRAZOLO-PYRIMIDINE DERIVATIVES
  申请人：F.HOFFMANN-LA ROCHE AG

  公开号：EP1761541A1

  公开（公告）日：2007-03-14
• US7378417B2
  申请人：——

  公开号：US7378417B2

  公开（公告）日：2008-05-27