5-甲酰基-2-呋喃磺酸 | 64373-51-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 中文名称: 5-甲酰基-2-呋喃磺酸
• 英文名称: 5-formyl-2-furansulphonic acid
• 英文别名: 5-formyl-2-furanesulfonic acid；5-formyl-2-furansulfonic acid；5-formyl-furan-2-sulfonic acid；5-formylfuran-2-sulfonic acid；2-Formylfuran-5-sulfonate
• CAS: 64373-51-9
• 化学式: C₅H₄O₅S
• mdl: MFCD21609177
• 分子量: 176.15
• InChiKey: URIMPWMBVPNFDM-UHFFFAOYSA-N

物化性质

• 密度：
  1.651±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  93
• 氢给体数：
  1
• 氢受体数：
  5

上下游信息

• 下游产品

  中文名称	英文名称	CAS号	化学式	分子量
  ——	N-isopropyl-α-(2-sulfofuran-5-yl)nitrone	202259-41-4	C8H11NO5S	233.245
  ——	N-Propyl-α-(2-sulfofuran-5-yl)nitrone	729555-78-6	C8H11NO5S	233.245
  ——	N-tert-butyl-α-(2-sulfofuran-5-yl)nitrone	251087-34-0	C9H13NO5S	247.272
  ——	N-n-Butyl-α-(2-sulfofuran-5yl)nitrone	251087-33-9	C9H13NO5S	247.272

反应信息

• 作为反应物：
  描述：

  N-异丙基羟胺 、 5-甲酰基-2-呋喃磺酸 以 甲醇 为溶剂， 以75%的产率得到N-isopropyl-α-(2-sulfofuran-5-yl)nitrone
  参考文献：
  名称：

  Furan nitrone compounds

  摘要：

  揭示了呋喃亚硝酮化合物和含有这种化合物的药物组合物。所述化合物可用作检测自由基的分析试剂，也可作为治疗各种医学功能障碍和疾病的药物。

  公开号：

  US06376540B1

文献信息

• New indene-derivatives with anti-proliferative properties
  作者：Ioanna-Maria Karaguni、Karl-Heinz Glüsenkamp、Anette Langerak、Christoph Geisen、Volker Ullrich、Günther Winde、Tarik Möröy、Oliver Müller

  DOI：10.1016/s0960-894x(01)00839-3

  日期：2002.2

  Metabolites of the non-steroidal anti-inflammatory drug Sulindac inhibit cell proliferation by affecting several intracellular signaling pathways including the tumorigenic Ras/Raf/MAPK pathway. Here, we report the synthesis of eight new indene derivatives derived from the Sulindac structure, and present data on their anti-proliferative properties and their effects on the p21ras protein.

  非甾体抗炎药舒林酸的代谢产物通过影响包括致瘤性Ras / Raf / MAPK途径在内的几种细胞内信号传导途径来抑制细胞增殖。在这里，我们报告了八种新的源自Sulindac结构的茚衍生物的合成，并提供了其抗增殖特性及其对p21ras蛋白的影响的数据。
• Methods for treating medical dysfunctions and diseases using furan
  申请人：Centaur Pharmaceuticals, Inc.

  公开号：US06051571A1

  公开（公告）日：2000-04-18

  Disclosed are methods for treating a patient with an acute central nervous system or cardiovascular disorder or a neurodegenerative, autoimmune or inflammatory disease using a pharmaceutical composition containing a pharmaceutically acceptable carrier and an effective amount of a furan nitrone compound.

  本发明公开了一种使用含有药用载体和有效量的呋喃硝酮化合物的药物组合物，治疗患有急性中枢神经系统或心血管疾病、神经退行性、自身免疫或炎症性疾病的患者的方法。
• Process for preparing furan nitrone compounds
  申请人：Centaur Pharmaceuticals, Inc.

  公开号：US06040444A1

  公开（公告）日：2000-03-21

  Disclosed are processes for preparing furan nitrone compounds using a furan carbonyl compound and a hydroxylamine compound.

  本发明涉及使用一种呋喃羰基化合物和一种羟肟化合物制备呋喃亚硝基化合物的方法。
• Carbonic Anhydrase-Encoded Dynamic Constitutional Libraries: Toward the Discovery of Isozyme-Specific Inhibitors
  作者：Gihane Nasr、Eddy Petit、Daniela Vullo、Jean-Yves Winum、Claudiu T. Supuran、Mihail Barboiu

  DOI：10.1021/jm900449v

  日期：2009.8.13

  A constitutional dynamic library (CDL) was generated under thermodynamic control by using the amino-carbonyl/imine interconversion as reversible chemistry, combined with noncovalent bonding within the active site of the metalloenzyme carbonic anhydrase (CA, EC 4.2.1.1). Considering the pharmacological importance to find isoform-selective CA inhibitors (CAIs), two of the 15 human (h) isoform, i.e., hCAI and hCAII, have been subjected to a parallel screening of the same CDL. The use of parallel constitutional screening of CDL chemistry for the discovery of enzyme inhibitors is straightforward and it might provide initial insights toward the generation of efficient classes of selective, high affinity inhibitors. We demonstrate here that the high selectivity and specificity of inhibiting the hCAI and hCAII. isozymes with some of the detected hits may be used to describe a complex constitutional behavior through component selection from the dynamic library, driven by the selective binding to the specific isoform active site. These results also point to the possibility of modulating the drug discovery methods by constitutional recomposition induced by a specific enzymatic target.
• KLIEGEL, W.;ENDERS, B.;BECKER, H., CHEM. BER., 1983, 116, N 1, 27-45
  作者：KLIEGEL, W.、ENDERS, B.、BECKER, H.

  DOI：——

  日期：——