1-(4-(4-methylpiperazin-1-ylsulfonyl)phenyl)ethanone | 309271-25-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(4-(4-methylpiperazin-1-ylsulfonyl)phenyl)ethanone
• 英文别名: 1-[4-(4-Methyl-piperazine-1-sulfonyl)-phenyl]-ethanone；1-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]ethanone
• CAS: 309271-25-8
• 化学式: C₁₃H₁₈N₂O₃S
• mdl: MFCD01200548
• 分子量: 282.364
• InChiKey: CPSMBILYGPIPPN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.461
• 拓扑面积：
  66.1
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-(4-(4-methylpiperazin-1-ylsulfonyl)phenyl)ethanone 在 三氟乙酸 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Discovery of piperidinyl aminopyrimidine derivatives as IKK-2 inhibitors

  摘要：

  A serine-threonine kinase IKK-2 plays an important role in activation of NF-kappa B through phosphorylation of the inhibitor of NF-kappa B (I kappa B). As NF-kappa B is a major transcription factor that regulates genes responsible for cell proliferation and inflammation, development of selective IKK-2 inhibitors has been an important area of anti-inflammatory and anti-cancer research. In this study, to obtain active and selective IKK-2 inhibitors, various substituents were introduced to a piperidinyl aminopyrimidine core structure. The structure-activity relationship study indicated that hydrogen, methanesulfonyl, and aminosulfonyl groups substituted at the piperidinylamino functionality provide high inhibitory activity against IKK-2. Also, morpholinosulfonyl and piperazinosulfonyl group substituted at the aromatic ring attached to the aminopyrimidine core significantly increased the inhibitory activity of the resulting derivatives. In particular, compound 17 with the aromatic piperazinosulfonyl substituent showed the most potent (IC50 = 1.30 mu M) and selective (over other kinases such as p38 alpha, p38 beta, JNK1, JNK2, JNK3, and IKK-1) inhibitory activity against IKK-2. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.03.044

文献信息

• INHIBITORS OF TRANSGLUTAMINASES
  申请人：Zedira GmbH

  公开号：EP3342779A1

  公开（公告）日：2018-07-04

  The invention relates to the compound of general formula (I) as novel inhibitors of transglutaminases, to methods for producing the inventive compounds, to pharmaceutical compositions containing said inventive compounds and to their use for the prophylaxis and treatment of diseases associated with transglutaminases.

  这项发明涉及通式（I）的化合物作为新型转谷氨酰胺酶抑制剂，以及生产这些创新化合物的方法，含有这些创新化合物的药物组合物，以及它们用于预防和治疗与转谷氨酰胺酶相关疾病的用途。
• [EN] INHIBITORS OF BLOOD COAGULATION FACTOR XIII<br/>[FR] INHIBITEURS DU FACTEUR XIII DE COAGULATION DU SANG
  申请人：ZEDIRA GMBH

  公开号：WO2019202052A1

  公开（公告）日：2019-10-24

  The invention relates to a compound of general formula (I) as novel inhibitor of blood coagulation factor XIII, methods for synthesis thereof and to use thereof for the prophylaxis or treatment of diseases associated with blood coagulation factor XIII.

  该发明涉及一种一般式（I）化合物，作为新型抑制血凝因子XIII的抑制剂，其合成方法以及用于预防或治疗与血凝因子XIII相关疾病的用途。
• Sulfonamide-substituted chalcone derivatives and their use to treat diseases
  申请人：Worsencroft J. Kimberly

  公开号：US20050049236A1

  公开（公告）日：2005-03-03

  The invention relates to compounds, pharmaceutical compositions and methods of using compounds of the general formula or its pharmaceutically acceptable salt or ester, wherein the substituents are defined in the application.

  该发明涉及一般式的化合物、药物组成物和使用该化合物的方法，或其药学上可接受的盐或酯，其中取代基在申请中有定义。
• Inhibitors of transglutaminases
  申请人：Zedira GmbH

  公开号：US11072634B2

  公开（公告）日：2021-07-27

  The invention relates to the compound of general formula (I) as novel inhibitors of transglutaminases, to methods for producing the inventive compounds, to pharmaceutical compositions containing said inventive compounds and to their use for the prophylaxis and treatment of diseases associated with transglutaminases.

  本发明涉及作为新型转谷氨酰胺酶抑制剂的通式（I）化合物、生产本发明化合物的方法、含有所述本发明化合物的药物组合物以及它们在预防和治疗与转谷氨酰胺酶有关的疾病方面的用途。
• ANILINOPYRIMIDINE DERIVATIVES AS IKK INHIBITORS AND COMPOSITIONS AND METHODS RELATED THERETO
  申请人：Signal Pharmaceuticals, LLC

  公开号：EP1349841B1

  公开（公告）日：2009-12-02