N-cyclopentyl-4-nitrobenzenesulfonamide

• 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: N-cyclopentyl-4-nitrobenzenesulfonamide
• 英文别名: N-cyclopentyl-4-nitrobenzene-1-sulfonamide
• 化学式: C₁₁H₁₄N₂O₄S
• mdl: MFCD00451512
• 分子量: 270.309
• InChiKey: AHIDFHGCZZOGJB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.454
• 拓扑面积：
  100
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N-cyclopentyl-4-nitrobenzenesulfonamide 在 palladium 10% on activated carbon 、 氢气 作用下， 反应 1.0h， 生成 4-amino-N-cyclopentylbenzenesulfonamide
  参考文献：
  名称：

  Synthesis and biological evaluation of norcantharidin derivatives as protein phosphatase-1 inhibitors

  摘要：

  Cantharidin and norcantharidin display anticancer activity against a broad range of tumor cell lines. In this study, we have synthesized a series of norcantharidin derivatives and evaluated their cytotoxic effects on four human tumor cell lines together with the genetically normal human diploid fibroblast line WI-38. One of our compounds (1S,4R)-3-((4-(4-(4-fluorophenyl) piperazin-1-ylsulfonyl) phenyl) carbamoyl)-7-oxa-bicyclo[2.2.1] heptane-2-carboxylic acid (12) exhibited potent cytotoxic effects on the tumor cell lines A-549, HepG2, HeLa, and HCT-8, whereas it was less toxic to WI-38 cells than its parent compound, norcantharidin. In addition, this compound inhibited protein phosphatase-1 activity and microtubule formation in HeLa cells, and it also interacts with calf thymus DNA. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2014.11.032
• 作为产物：
  描述：

  环戊烷 、 [N-(nosyl)imino]phenyliodinane 在 [(2,2':6',2'':6'',2''':6''',2''''-quinquepyridine)bis(acetonitrile)iron(II)] perchlorate 作用下， 以 乙腈 为溶剂， 反应 24.0h， 以52%的产率得到N-cyclopentyl-4-nitrobenzenesulfonamide
  参考文献：
  名称：

  C(sp3)-H 键的非血红素铁介导的胺化。通过实验研究和 DFT 计算得到喹喹啉负载的亚胺铁/腈中间体

  摘要：

  7配位络合物[Fe(qpy)(MeCN)2](ClO4)2 (1, qpy = 2,2':6',2″:6″,2''':6''',2' '''-quinquepyridine) 是一种高活性的非血红素铁催化剂，用于 C(sp(3))-H 键的分子内和分子间胺化。该复合物不仅有效地催化有限量的烃的苄基和烯丙基 C(sp(3))-H 键的胺化，而且还催化环烷烃和环烷烃/线性烷烃部分的 C(sp(3))-H 键的胺化。氨基磺酸酯，例如衍生自薄荷烷和甾体胆烷和雄甾烷的那些，使用PhI=NR或“PhI(OAc)2+H2NR”[R=Ts(对甲苯磺酰基)，Ns(对硝基苯磺酰基)]作为氮源，胺化产物的分离率高达 93%。亚铁酰亚胺/氮烯中间体 [Fe(qpy)(NR)(X)](n+) (CX, X = NR, 溶剂, 或阴离子）在实验研究的基础上提出，包括 ESI-MS 分析、交叉实验、哈米特图以及与 CH

  DOI：

  10.1021/ja3122526

文献信息

• [EN] INHIBITORS OF BROMODOMAIN-CONTAINING PROTEIN 4 (BRD4)<br/>[FR] INHIBITEURS DE PROTÉINE 4 CONTENANT UN BROMODOMAINE (BRD4)
  申请人：ZHOU JIA

  公开号：WO2018112037A1

  公开（公告）日：2018-06-21

  Certain embodiments are directed to small molecule selective inhibitors of the BRD4 bromodomain. Compounds described herein can be used to modulate the bronchiolar NFkB-BRD4 axis, which plays a role in acute neutrophilic response to viral molecular patterns. Compounds described herein can be developed as preventive and therapeutic agents for various human diseases and conditions.

  某些实施例涉及BRD4溴结构域的小分子选择性抑制剂。本文描述的化合物可用于调节支气管NFκB-BRD4轴，该轴在对病毒分子模式的急性中性粒细胞反应中起作用。本文描述的化合物可作为各种人类疾病和病况的预防和治疗药物开发。
• Inhibitors of bromodomain-containing protein 4 (BRD4)
  申请人：Zhou Jia

  公开号：US11117865B2

  公开（公告）日：2021-09-14

  Certain embodiments are directed to small molecule selective inhibitors of the BRD4 bromodomain. Compounds described herein can be used to modulate the bronchiolar NFkB-BRD4 axis, which plays a role in acute neutrophilic response to viral molecular patterns. Compounds described herein can be developed as preventive and therapeutic agents for various human diseases and conditions.

  某些实施方式涉及BRD4溴结构域的小分子选择性抑制剂。本文所述化合物可用于调节支气管NFκB-BRD4轴，其在响应病毒分子模式的急性中性粒细胞反应中发挥重要作用。本文所述化合物可开发为预防和治疗多种人类疾病和状况的药物。
• Silver-Catalyzed Intermolecular Amination of CH Groups
  作者：Zigang Li、D. A. Capretto、R. Rahaman、Chuan He

  DOI：10.1002/anie.200700760

  日期：2007.7.2
• INHIBITORS OF BROMODOMAIN-CONTAINING PROTEIN 4 (BRD4)
  申请人：Zhou, Jia

  公开号：EP3554503A1

  公开（公告）日：2019-10-23
• [EN] COMPOUNDS AND THEIR USE AS PDE4 ACTIVATORS<br/>[FR] COMPOSÉS ET LEUR UTILISATION EN TANT QU'ACTIVATEURS DE PDE4
  申请人：[en]MIRONID LIMITED

  公开号：WO2022172037A1

  公开（公告）日：2022-08-18

  The present invention relates to compounds of Formulas A-D, I-IV and Z, their use as activators of long form cyclic nucleotide phosphodiesterase-4 (PDE4) enzymes (isoforms) and to these compounds for use in a method for the treatment or prevention of disorders requiring a reduction of second messenger responses mediated by cyclic 3',5'-adenosine monophosphate (cAMP).