4-氯-N-(2,5-二氯苯基)苯磺酰胺 | 14738-06-8

• 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: 4-氯-N-(2,5-二氯苯基)苯磺酰胺
• 英文名称: 4-chloro-N-[5-chloro-2-chlorophenyl]benzenesulfonamide
• 英文别名: N-(2,5-dichlorophenyl)-4-chlorobenzenesulfonamide；4-Chlor-benzolsulfonsaeure-<2.5-dichlor-anilid>；4-Chlor-benzolsulfonsaeure-(2.5-dichlor-anilid)；4-chloro-N-(2,5-dichlorophenyl)benzenesulfonamide
• CAS: 14738-06-8
• 化学式: C₁₂H₈Cl₃NO₂S
• mdl: MFCD00095778
• 分子量: 336.626
• InChiKey: LIFCXMXVGPATSI-UHFFFAOYSA-N

物化性质

• 熔点：
  144.5-145.0 °C
• 沸点：
  445.1±55.0 °C(Predicted)
• 密度：
  1.570±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  19
• 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：
  54.6
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2935009090

反应信息

• 作为反应物：
  描述：

  4-氯-N-(2,5-二氯苯基)苯磺酰胺 、 (S)-1-((tert-butyldimethylsilyl)oxy)propan-2-ol 在 偶氮二甲酸二异丙酯 、 三苯基膦 作用下， 以 四氢呋喃 为溶剂， 反应 16.0h， 生成 N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-4-chloro-N-(2,5-dichlorophenyl)benzenesulfonamide
  参考文献：
  名称：

  Carbamate-appended N-alkylsulfonamides as inhibitors of γ-secretase

  摘要：

  The synthesis and gamma-secretase inhibition data for a series of carbamate-appended N-alkylsulfonamides are described. Carbamate 54 was found to significantly reduce brain A beta in transgenic mice. 54 was also found to possess markedly improved brain levels in transgenic mice compared to previously disclosed 1 and 2. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.11.102
• 作为产物：
  描述：

  2,5-二氯苯胺 、 4-氯苯磺酰氯 在 吡啶 作用下， 以 二氯甲烷 为溶剂， 反应 8.0h， 生成 4-氯-N-(2,5-二氯苯基)苯磺酰胺
  参考文献：
  名称：

  Carbamate-appended N-alkylsulfonamides as inhibitors of γ-secretase

  摘要：

  The synthesis and gamma-secretase inhibition data for a series of carbamate-appended N-alkylsulfonamides are described. Carbamate 54 was found to significantly reduce brain A beta in transgenic mice. 54 was also found to possess markedly improved brain levels in transgenic mice compared to previously disclosed 1 and 2. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.11.102

文献信息

• Antiamyloid phenylsulfonamides: N-alkanol derivatives
  申请人：——

  公开号：US20040097572A1

  公开（公告）日：2004-05-20

  A series of N-alkanol-N-phenyl benzenesulfonamide and related derivatives of the Formula I are disclosed, 1 wherein R 1 , R 2 , R 3 , X, and Y are defined herein. The compounds are inhibitors of &bgr;-amyloid peptide (&bgr;-AP) production and are useful in the treatment of Alzheimer's Disease and other conditions characterized by aberrant extracellular deposition of amyloid. Pharmaceutical compositions and methods of treatment are also disclosed.

  公开了一系列Formula I中的N-烷基-N-苯基苯磺酰胺及相关衍生物，其中R1、R2、R3、X和Y在此定义。这些化合物是β-淀粉样肽（β-AP）产生的抑制剂，对治疗阿尔茨海默病和其他以异常细胞外淀粉样沉积为特征的疾病有用。还公开了药物组合物和治疗方法。
• Sulfonamide compounds and uses thereof
  申请人：Smith David W.

  公开号：US06967196B1

  公开（公告）日：2005-11-22

  In accordance with the present invention, there is provided a novel class of sulfonamide compounds. Compounds of the invention contain a core sulfonamide group. Variable moieties connected to the sulfur atom and nitrogen atom of the sulfonamide group include substituted or unsubstituted hydrocarbyl moieties, substituted or unsubstituted heterocycle moieties, polycyclic moieties, halogen, alkoxy, ether, ester, amide, sulfonyl, sulfonamidyl, sulfide, carbamate, and the like. Invention compounds are capable of a wide variety of uses. For example sulfonamide compounds can act to modulate production of amyloid β protein and are useful in the prevention or treatment of a variety of diseases. Pharmaceutical compositions containing invention compounds are also provided. Such compositions have wide utility for the prevention or treatment of a variety of diseases.

  根据本发明，提供了一种新型的磺酰胺化合物类。该发明的化合物包含核心磺酰胺基团。连接到磺酰胺基团的硫原子和氮原子的可变基团包括取代或未取代的烃基团，取代或未取代的杂环基团，多环基团，卤素，烷氧基，醚，酯，酰胺，磺酰基，磺酰胺基，硫化物，氨基甲酸酯等。本发明的化合物具有广泛的用途。例如，磺酰胺化合物可以调节淀粉样β蛋白的产生，并可用于预防或治疗各种疾病。还提供了含有本发明化合物的制药组合物。这样的组合物对预防或治疗各种疾病具有广泛的用途。
• NOVEL SULFONAMIDE COMPOUNDS AND USES THEREOF
  申请人：MERCK & CO., INC.

  公开号：EP1159263A1

  公开（公告）日：2001-12-05
• ANTIMICROBIAL COMPOUNDS AND METHODS OF USE THEREOF
  申请人：Skaar Eric

  公开号：US20100004324A1

  公开（公告）日：2010-01-07

  In one aspect, the invention relates to compounds and methods useful for activating heme sensor systems; for decreasing virulence of bacteria, for example, Staphylococcus aureus; pharmaceutical compositions comprising the compounds; and methods of treating microbial-related disorders. This abstract is intended as a scanning tool for purposes of searching in the particular art and is not intended to be limiting of the present invention.
• US6967196B1
  申请人：——

  公开号：US6967196B1

  公开（公告）日：2005-11-22