3-(3-(3,4-dichlorophenyl)ureido)benzenesulfonamide

• 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-(3-(3,4-dichlorophenyl)ureido)benzenesulfonamide
• 英文别名: 1-(3,4-Dichlorophenyl)-3-(3-sulfamoylphenyl)urea
• 化学式: C₁₃H₁₁Cl₂N₃O₃S
• 分子量: 360.221
• InChiKey: YCJWPPIOSGNRDI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  110
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3-氨基苯磺酰氟盐酸盐 在 ammonium hydroxide 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 生成 3-(3-(3,4-dichlorophenyl)ureido)benzenesulfonamide
  参考文献：
  名称：

  Carbonic anhydrase inhibitors - Part 49: Synthesis of substituted ureido and thioureido derivatives of aromatic/heterocyclic sulfonamides with increased affinities for isozyme I

  摘要：

  Reaction of nine aromatic/heterocyclic sulfonamides containing a free amino group with aryl isocyanates/isothiocyanates or allyl isothiocyanate afforded the corresponding urea/thiourea derivatives, which were characterized by standard physico-chemical procedures and assayed as inhibitors of three isozymes of carbonic anhydrase (CA), i.e. hCA I, hCA II and bCA IV (h = human, b = bovine isozyme). Another series of compounds, 1,5-disubstituted-2-thiobiuret derivatives, were prepared by reaction of 3,4-dichlorophenyl isocyanate with thioureido-containing aromatic/heterocyclic sulfonamides. Good inhibition of all these three CA isozymes was observed with the new compounds, but an exciting finding was that the ureas/thioureas and especially the above-mentioned thiobiurets reported here have an increased affinity to the slow isozyme hCA I, generally less susceptible to inhibition by sulfonamides, as compared to the rapid isozymes hCA II and bCA IV. Some of the new compounds might constitute good lead molecules for developing more selective CA I inhibitors. (C) Elsevier, Paris.

  DOI：

  10.1016/s0223-5234(98)80033-0

文献信息

• SMALL MOLECULE INHIBITORS OF VIRAL PROTEIN INTERACTIONS WITH HUMAN T-RNA
  申请人：Sirga Advanced Biopharma, Inc.

  公开号：US20150190384A1

  公开（公告）日：2015-07-09

  Disclosed herein are compounds, compositions and methods of their use to treat HIV/AIDS disease in a subject in need thereof wherein the compositions comprise small molecule inhibitors that inhibit viral preparation or viral recruitment of human tRNA3Lys.
• US9775835B2
  申请人：——

  公开号：US9775835B2

  公开（公告）日：2017-10-03
• [EN] HYDROXYEICOSADIENAMIDE COMPOUNDS<br/>[FR] COMPOSÉS DE HYDROXYEICOSADIÉNAMIDE
  申请人：TAISHO PHARMA CO LTD

  公开号：WO2004080389A2

  公开（公告）日：2004-09-23

  The present invention provides a hydroxyeicosadienamide compound an excellent inhibitory effect on elastase release, which is represented by Formula (I): (I), wherein n represents an integer of 0 to 5, and R represents an optionally substituted C1-20 alkyl group, an optionally substituted aryl group, -NRXRY, an optionally substituted unsaturated heterocyclic ring, or -(C1-4 alkylene)-Q or Q, wherein Q is an optionally substituted C4-10 bridged hydrocarbon or an optionally substituted aryl group, or a pharmaceutically acceptable salt or hydrate thereof.
• [EN] SMALL MOLECULE INHIBITORS OF VIRAL PROTEIN INTERACTIONS WITH HUMAN T-RNA<br/>[FR] INHIBITEURS À PETITES MOLÉCULES DES INTERACTIONS DES PROTÉINES VIRALES AVEC L'ARNT HUMAIN
  申请人：SIRGA ADVANCED BIOPHARMA INC

  公开号：WO2014025749A2

  公开（公告）日：2014-02-13

  Disclosed herein are compounds, compositions and methods of their use to treat HIV/AIDS disease in a subject in need thereof, wherein the compositions comprise small molecule inhibitors that inhibit viral preparation or viral recruitment of human tRNA3Lys.