4-氨基-n-(3,5-二氯苯基)苯磺酰胺 | 5407-59-0

• 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-氨基-n-(3,5-二氯苯基)苯磺酰胺
• 中文别名: N1-(3,5-二氯苯基)-4-氨基苯-1-磺酰胺
• 英文名称: sulfanilic acid-(3,5-dichloro-anilide)
• 英文别名: Sulfanilsaeure-(3,5-dichlor-anilid)；4-amino-N-(3,5-dichlorophenyl)-benzenesulfonamide；N(1)-(3',5'-Dichlor-phenyl)-sulfanilamid；4-Amino-N-(3,5-dichlorophenyl)benzenesulfonamide
• CAS: 5407-59-0
• 化学式: C₁₂H₁₀Cl₂N₂O₂S
• mdl: MFCD00276375
• 分子量: 317.196
• InChiKey: GSWJOTSSVXCCPW-UHFFFAOYSA-N

物化性质

• 熔点：
  150 °C
• 沸点：
  487.2±55.0 °C(Predicted)
• 密度：
  1.549±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 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：
  80.6
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2935009090

反应信息

• 作为反应物：
  描述：

  2-乙基丁酰氯 、 4-氨基-n-(3,5-二氯苯基)苯磺酰胺 在 吡啶 、 丙酮 作用下， 生成 N-(2-ethyl-butyryl)-sulfanilic acid-(3,5-dichloro-anilide)
  参考文献：
  名称：

  DE734565

  摘要：

  公开号：
• 作为产物：
  描述：

  3,5-二氯苯胺 在 吡啶 、 sodium hydroxide 、 丙酮 作用下， 生成 4-氨基-n-(3,5-二氯苯基)苯磺酰胺
  参考文献：
  名称：

  Benzene sulphonic acid derivatives and manufacture thereof

  摘要：

  公开号：

  US02248911A1

文献信息

• Aryl aniline beta2 adrenergic receptor agonists
  申请人：——

  公开号：US20030229058A1

  公开（公告）日：2003-12-11

  The invention provides novel &bgr; 2 adrenergic receptor agonist compounds of formula (I): 1 wherein R 1 -R 13 and w have any of the values described in the specification. The invention also provides combinations of such compounds and other therapeutic agents, pharmaceutical compositions comprising such compounds and combinations, methods of using such compounds to treat diseases associated with &bgr; 2 adrenergic receptor activity, and processes and intermediates useful for preparing such compounds.

  这项发明提供了式（I）的新型β2肾上腺素受体激动剂化合物： 其中R1-R13和w具有规范中描述的任何值。该发明还提供了这些化合物与其他治疗剂的组合，包含这些化合物和组合物的药物组合物，使用这些化合物治疗与β2肾上腺素受体活性相关的疾病的方法，以及用于制备这些化合物的有用的过程和中间体。
• [EN] ARYL ANILINE BETA-2 ADRENERGIC RECEPTOR AGONISTS<br/>[FR] AGONISTES ARYLANILINE DES RECEPTEURS ADRENERGIQUES DOLLAR G(B)2
  申请人：THERAVANCE INC

  公开号：WO2003042164A1

  公开（公告）日：2003-05-22

  The invention provides novel β2 adrenergic receptor agonist compounds of formula (I): wherein R1-R13 and w have any of the values described in the specification. The invention also provides pharmaceutical compositions comprising such compounds, methods of using such compounds to treat diseases associated with β¿2? adrenergic receptor activity, and processes and intermediates useful for preparing such compounds.

  本发明提供了一种新的β2肾上腺素受体激动剂化合物，其化学式为(I)：其中R1-R13和w具有规范中描述的任何值。本发明还提供了包含这种化合物的药物组合物，使用这种化合物治疗与β2肾上腺素受体活性相关的疾病的方法，以及用于制备这种化合物的过程和中间体。
• Design and synthesis of benzenesulfonanilides active against methicillin-resistant Staphylococcus aureus and vancomycin-resistant Enterococcus
  作者：Kensuke Namba、Xiaoxia Zheng、Kazunori Motoshima、Hidetomo Kobayashi、Akihiro Tai、Eizo Takahashi、Kenji Sasaki、Keinosuke Okamoto、Hiroki Kakuta

  DOI：10.1016/j.bmc.2008.04.040

  日期：2008.6

  Vancomycin is mainly used as an antibacterial agent of last resort, but recently vancomycin-resistant bacterial strains have been emerging. Although new antimicrobials have been developed in order to overcome drug-resistant bacteria, many are structurally complex beta-lactams or quinolones. In this study, we aimed to create new anti-drug-resistance antibacterials which can be synthesized in a few steps from inexpensive starting materials. Since sulfa drugs function as p-aminobenzoic acid mimics and inhibit dihydropteroate synthase (DHPS) in the folate pathway, we hypothesized that sulfa derivatives would act as folate metabolite-mimics and inhibit bacterial folate metabolism. Screening of our sulfonanilide libraries, including benzenesulfonanilide-type cyclooxygenase-1-selective inhibitors, led us to discover benzenesulfonanilides with potent anti-methicillin-resistant Staphylococcus aureus (MRSA)/vancomycin-resistant Enterococcus (VRE) activity, that is, N-3,5-bis(trifluoromethyl) phenyl-3,5-dichlorobenzenesulfonanilide (16b) [MIC = 0.5 mu g/mL (MRSA), 1.0 mu g/mL (VRE)], and 3,5-bis(trifluoromethyl)-N-(3,5-dichlorophenyl) benzenesulfonanilide (16c) [MIC = 0.5 mu g/mL (MRSA), 1.0 mu g/mL (VRE)]. These compounds are more active than vancomycin [MIC = 2.0 mu g/mL (MRSA), 125 mu g/mL (VRE)], but do not possess an amino group, which is essential for DHPS inhibition by sulfa drugs. These results suggested that the mechanism of antibacterial action of compounds 16b and 16c is different from that of sulfa drugs. We also confirmed the activity of these compounds against clinical isolates of Gram-positive bacteria. (C) 2008 Elsevier Ltd. All rights reserved.
• Some Halogenated Sulfonanilides
  作者：Harry Kaplan、Gerhard W. Leubner

  DOI：10.1021/ja01223a015

  日期：1945.7
• DE734565
  申请人：——

  公开号：——

  公开（公告）日：——