1-[(4-乙基苯基)磺酰基]哌嗪 | 777879-15-9

• 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: 1-[(4-乙基苯基)磺酰基]哌嗪
• 中文别名: 1-(4-乙基苯基)磺酰基哌嗪
• 英文名称: 1-(4-ethyl-benzenesulfonyl)-piperazine
• 英文别名: 1-(4-Aethyl-benzolsulfonyl)-piperazin；1-[(4-Ethylphenyl)sulfonyl]piperazine；1-(4-ethylphenyl)sulfonylpiperazine
• CAS: 777879-15-9
• 化学式: C₁₂H₁₈N₂O₂S
• mdl: MFCD06758168
• 分子量: 254.353
• InChiKey: SRABBUBLBVIBRF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  57.8
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2935009090

反应信息

• 作为反应物：
  描述：

  1-[(4-乙基苯基)磺酰基]哌嗪 、 7-bromomethylcamptothecin 以 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 以24%的产率得到7-(N-[(4-ethylphenylsulfonyl)piperazinyl]methyl)-(20S)-camptothecin
  参考文献：
  名称：

  Design, synthesis and potent cytotoxic activity of novel 7-( N -[(substituted-sulfonyl)piperazinyl]-methyl)-camptothecin derivatives

  摘要：

  In an effort to discover potent camptothecin-derived antitumor agents, novel camptothecin analogues with sulfonylpiperazinyl motifs at position-7 were designed and synthesized. They were evaluated for in vitro cytotoxicity with the sulforhodamine-B (SRB) method in five types of human tumor cell lines, A-549, MDA-MB-231, KB, KB-VIN and MCF-7. With IC50 values in the low mu M to nM level, most of the new analogues showed greater cytotoxicity activity than the reference compounds irinotecan and topotecan. Furthermore, compounds 121 (IC50, 1.2 nM) and 12k (IC50, 20.2 nM) displayed the highest cytotoxicity against the multidrug-resistant (MDR) KB-VIN cell line and merit further development as preclinical drug candidates for treating cancer, including MDR phenotype. Our study suggested that integration of sulfonylpiperazinyl motifs into position-7 of camptothecin is an effective strategy for discovering new potent cytotoxic camptothecin derivatives. (C) 2017 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2017.02.066
• 作为产物：
  描述：

  哌嗪 、 4-乙基苯磺酰氯 在 苯 作用下， 生成 1-[(4-乙基苯基)磺酰基]哌嗪 、 1,4-bis-(4-ethyl-benzenesulfonyl)-piperazine
  参考文献：
  名称：

  Elimination of p-Ethylbenzenesulfonamide from N-t-Octyl-p-ethylbenzenesulfonamide. Some N-Substituted p-Ethylbenzenesulfonamides

  摘要：

  DOI：

  10.1021/ja01648a076

文献信息

• SOLUBLE MTOR COMPLEXES AND MODULATORS THEREOF
  申请人：Gray Nathanael

  公开号：US20110288091A1

  公开（公告）日：2011-11-24

  The present invention relates to small molecule modulators of mTORC1 and mTORC2, syntheses thereof, and intermediates thereto. Such small molecule modulators are useful in the treatment of proliferative diseases (e.g., benign neoplasms, cancers, inflammatory diseases, autoimmune diseases, diabetic retinopathy) and metabolic diseases. Novel small molecules are provided that inhibit one or more of mTORC1, mTORC2, and PI3K-related proteins. Novel methods of providing soluble mTORC1 and mTORC2 complexes are discussed, as well as methods of using the soluble complexes in a high-throughput manner to screen for inhibitory compounds.

  本发明涉及mTORC1和mTORC2的小分子调节剂，其合成和中间体。这些小分子调节剂在治疗增生性疾病（例如良性肿瘤、癌症、炎症性疾病、自身免疫性疾病、糖尿病性视网膜病变）和代谢性疾病方面有用。提供了新的小分子，其抑制mTORC1、mTORC2和PI3K相关蛋白质中的一个或多个。讨论了提供可溶性mTORC1和mTORC2复合物的新方法，以及使用可溶性复合物以高通量方式筛选抑制性化合物的方法。
• Antimicrobial Compounds and Methods of Making and Using the Same
  申请人：Duffy Erin M.

  公开号：US20120220566A1

  公开（公告）日：2012-08-30

  The present invention relates generally to the field of antimicrobial compounds and to methods of making and using them. These compounds are useful for treating, preventing, and reducing the risk of microbial infections in humans and animals.

  本发明涉及抗微生物化合物领域，以及其制备和使用方法。这些化合物可用于治疗、预防和降低人类和动物微生物感染的风险。
• US8394818B2
  申请人：——

  公开号：US8394818B2

  公开（公告）日：2013-03-12