3-carbamoylbenzene-1-sulfonyl chloride | 69812-57-3

• 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-carbamoylbenzene-1-sulfonyl chloride
• 英文别名: 3-carbamoylbenzenesulfonyl chloride
• CAS: 69812-57-3
• 化学式: C₇H₆ClNO₃S
• mdl: MFCD09036323
• 分子量: 219.649
• InChiKey: WXJXARCKFQHXST-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  13
• 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：
  85.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-(4-(3,4-dimethoxybenzyl)-piperazin-1-yl)phenylamine 、 3-carbamoylbenzene-1-sulfonyl chloride 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以167 mg的产率得到
  参考文献：
  名称：

  一种含氮杂环衍生物及其应用

  摘要：

  一种含氮杂环衍生物及其应用。本发明涉及式(V)化合物和制备方法及其在医药上的应用。具体而言，本发明涉及通式为(V)化合物的衍生物和制备方法以及其作为治疗剂，在预防和治疗高脂血症，高胆固醇血症，高甘油三酯血症，肝脂肪变性，II型糖尿病，高血糖症，肥胖症或胰岛素抵抗症，代谢综合征和抗肿瘤药物中的用途。本文公开的化合物还能降低总胆固醇，LDL‑胆固醇和甘油三酯，并且增加肝LDL受体表达，抑制PCSK9表达。

  公开号：

  CN107540636A
• 作为产物：
  描述：

  3-氯磺酰苯甲酰氯 在 ammonium hydroxide 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 3-carbamoylbenzene-1-sulfonyl chloride
  参考文献：
  名称：

  一种含氮杂环衍生物及其应用

  摘要：

  一种含氮杂环衍生物及其应用。本发明涉及式(V)化合物和制备方法及其在医药上的应用。具体而言，本发明涉及通式为(V)化合物的衍生物和制备方法以及其作为治疗剂，在预防和治疗高脂血症，高胆固醇血症，高甘油三酯血症，肝脂肪变性，II型糖尿病，高血糖症，肥胖症或胰岛素抵抗症，代谢综合征和抗肿瘤药物中的用途。本文公开的化合物还能降低总胆固醇，LDL‑胆固醇和甘油三酯，并且增加肝LDL受体表达，抑制PCSK9表达。

  公开号：

  CN107540636A

文献信息

• Substituted sulfonamide bioisosteres of 8-hydroxyquinoline as zinc-dependent antibacterial compounds
  作者：John E. McGowan、Andrew D. Harper、Emma K. Davison、Joo Young Jeong、Sonya Mros、Nichaela Harbison-Price、Essie M. Van Zuylen、Melanie K. Knottenbelt、Adam Heikal、Scott A. Ferguson、Michelle A. McConnell、Gregory M. Cook、Woravimol Krittaphol、Greg F. Walker、Margaret A. Brimble、David Rennison

  DOI：10.1016/j.bmcl.2020.127110

  日期：2020.6

  the presence of 50 µM ZnSO4. Against S. aureus compounds 9g (MIC 4 µg/mL) and 11d (MIC 8 µg/mL) showed the greatest activity, whereas all compounds were found to be inactive against E. coli (MIC > 256 µg/mL); again in the presence of 50 µM ZnSO4. All compounds were demonstrated to be significantly less active in the absence of supplementary zinc. Compound 9g was subsequently confirmed to be bactericidal

  在存在和不存在补充锌的情况下，评估了一系列的8-羟基喹啉取代的磺酰胺类生物等效物对常见乳腺炎病原体乳房链球菌，金黄色葡萄球菌和大肠杆菌的抗菌活性。在存在50 µM ZnSO4的情况下，化合物9a-e，10a-c，11a-e，12和13对乳房链球菌的MIC为0.0625 µg / mL。抗金黄色葡萄球菌的化合物9g（MIC 4 µg / mL）和11d（MIC 8 µg / mL）表现出最大的活性，而所有化合物均对大肠杆菌无活性（MIC> 256 µg / mL）。再次在50 µM ZnSO4存在下。在没有补充锌的情况下，所有化合物的活性均明显降低。随后确认化合物9g具有杀菌作用，MBC（≥3log10cfu / mL降低）为0。在50 µM ZnSO4存在下，针对乳房链球菌为125 µg / mL。为了验证在补充锌的存在下化合物9g的消毒活性，进行了定量悬浮液消毒（消毒剂）测试。在该初步测试中，对于浓度低至1
• TETRAHYDROBENZOTHIOPHENE COMPOUND
  申请人：Astellas Pharma Inc.

  公开号：US20130053369A1

  公开（公告）日：2013-02-28

  The purpose is to provide a compound which has an intestinal phosphate transporter (NPT-IIb) inhibitory action and is useful as an active ingredient of an agent for treating and/or preventing hyperphosphatemia. A tetrahydrobenzothiophene compound of the following formula (I) has NPT-IIb inhibitory action and can be used as an agent for treating and/or preventing hyperphosphatemia: wherein, R 1 represents —O-lower alkyl, -lower alkylene-phenyl, or the like; R 2 and R 3 are the same as or different from each other and represent H, lower alkyl, cycloalkyl, aryl, heteroaryl or the like, or, R 2 and R 3 may be combined with a nitrogen atom to which they bind to form 5- to 7-membered saturated cyclic amino; R 4 's are the same as or different from each other and represent halogen, lower alkyl; and n represents 0 to 2.

  本发明旨在提供一种具有肠道磷酸盐转运体（NPT-IIb）抑制作用的化合物，可用作治疗和/或预防高磷血症的活性成分。以下式（I）的四氢苯并噻吩化合物具有NPT-IIb抑制作用，可用作治疗和/或预防高磷血症的药剂：其中，R1表示-低碳基氧基，-低碳基亚烷基苯基或类似物；R2和R3相同或不同，表示H，低碳基，环烷基，芳基，杂环芳基或类似物，或R2和R3可以与它们结合的氮原子结合形成5-至7-成员饱和环氨基；R4相同或不同，表示卤素，低碳基；n表示0至2。
• Chemogenomic Profiling of Human and Microbial FK506-Binding Proteins
  作者：Sebastian Pomplun、Claudia Sippel、Andreas Hähle、Donald Tay、Kensuke Shima、Alina Klages、Can Murat Ünal、Benedikt Rieß、Hui Ting Toh、Guido Hansen、Ho Sup Yoon、Andreas Bracher、Peter Preiser、Jan Rupp、Michael Steinert、Felix Hausch

  DOI：10.1021/acs.jmedchem.8b00137

  日期：2018.4.26

  FK506-binding proteins (FKBPs) are evolutionarily conserved proteins that display peptidyl-prolyl isomerase activities and act as coreceptors for immunosuppressants. Microbial macrophage-infectivity-potentiator (Mip)-type FKBPs can enhance infectivity. However, developing druglike ligands for FKBPs or Mips has proven difficult, and many FKBPs and Mips still lack biologically useful ligands. To explore the scope and potential of C5-substituted [4.3.1]-azabicyclic sulfonamides as a broadly applicable class of FKBP inhibitors, we developed a new synthesis method for the bicyclic core scaffold and used it to prepare an FKBP- and Mip-focused library. This allowed us to perform a systematic structure activityrelationship analysis across key human FKBPs and microbial Mips, yielding highly improved inhibitors for all the FKBPs studied. A cocrystal structure confirmed the molecular-binding mode of the core structure and explained the affinity gained as a result of the preferred substituents. The best FKBP and Mip ligands showed promising antimalarial, antileginonellal, and antichlamydial properties in cellular models of infectivity, suggesting that substituted [4.3.1]-aza-bicyclic sulfonamides could be a novel class of anti-infectives.
• Synthesis and evaluation of [(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexanes and 4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidines as DPP-4 inhibitors
  作者：Ping Chen、Charles G. Caldwell、Wallace Ashton、Joseph K. Wu、Huaibing He、Kathryn A. Lyons、Nancy A. Thornberry、Ann E. Weber

  DOI：10.1016/j.bmcl.2010.12.060

  日期：2011.3

  A series of 4-amino cyclohexanes and 4-substituted piperidines were prepared and evaluated for inhibition of DPP-4. Analog 20q displayed both good DPP-4 potency and selectivity against other proteases, while derivative 20k displayed long half life and modest oral bioavailability in rat. The most potent analog, 3-(5-aminocarbonylpyridyl piperidine 53j, displayed excellent DPP-4 activity with good selectivity versus other proline enzymes. Published by Elsevier Ltd.
• Synthesis and evaluation of 2-phenyl-1,4-butanediamine-based CCR5 antagonists for the treatment of HIV-1
  作者：Matthew D. Tallant、Maosheng Duan、George A. Freeman、Robert G. Ferris、Mark P. Edelstein、Wieslaw M. Kazmierski、Pat J. Wheelan

  DOI：10.1016/j.bmcl.2011.01.030

  日期：2011.3

  We describe the synthesis and potency of a novel series of N-substituted 2-phenyl- and 2-methyl-2-phenyl-1,4-diaminobutane- based CCR5 antagonists. Compounds 7a and 12f were found to be potent in anti-HIV assays and bioavailable in the low-dose rat PK model. (C) 2011 Elsevier Ltd. All rights reserved.