1-(4-(2-methoxyphenyl)piperazin-1-yl)-2,2-dimethylpropan-1-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 1-(4-(2-methoxyphenyl)piperazin-1-yl)-2,2-dimethylpropan-1-one
• 英文别名: 1-[4-(2-Methoxyphenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
• 化学式: C₁₆H₂₄N₂O₂
• 分子量: 276.379
• InChiKey: ZEKAMWWBGAYNEC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  32.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  三甲基乙酰氯 、 1-(2-methoxyphenyl)piperazine hydrochloride 在 N-甲基吗啉 作用下， 以 二氯甲烷 为溶剂， 以84 %的产率得到1-(4-(2-methoxyphenyl)piperazin-1-yl)-2,2-dimethylpropan-1-one
  参考文献：
  名称：

  N-酰基和二聚体 N-芳基哌嗪衍生物的设计与合成作为潜在的抗利什曼病药物

  摘要：

  目前的利什曼病治疗方案与多种不良反应、昂贵的、较长时间的肠胃外治疗以及耐药性的出现有关。为了开发负担得起且有效的抗利什曼病药物，合成了一系列高纯度的N-酰基和同二聚芳基哌嗪，通过计算机方法预测了药物特性并研究了它们的抗利什曼病活性。合成化合物对经临床验证的杜氏利什曼原虫寄生虫细胞内无鞭毛体和细胞外前鞭毛体形式的体外生物活性表明，8 种化合物在浓度低于 25 µM 时可抑制 50% 的无鞭毛体生长。半数最大抑菌浓度（IC 50) 和八种活性化合物4a、4d和4e的细胞毒性评估表明其具有 IC 50 2.0 – 9.1 µM 和选择性指数 10 – 42 的活性。发现化合物4d（IC 50 2.0 µM，SI = 42）是其中最好的与对照药物米替福新相比，药效高四倍，毒性低八倍。总的来说，结果表明化合物4d是有前途的主要候选药物，可进一步开发为抗利什曼病药物。

  DOI：

  10.1016/j.bioorg.2023.106593

文献信息

• COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE
  申请人：SHY Therapeutics LLC

  公开号：US20170174699A1

  公开（公告）日：2017-06-22

  Provided herein are compounds that inhibit the phosphorylation of MAPK and thus are useful in compositions and methods for treating cancer and inflammatory disease.

  本文提供了抑制MAPK磷酸化的化合物，因此可用于治疗癌症和炎症性疾病的组合物和方法。
• Compounds for the treatment of cancer and inflammatory disease
  申请人：SHY Therapeutics LLC

  公开号：US10221191B2

  公开（公告）日：2019-03-05

  Provided herein are compounds that inhibit the phosphorylation of MAPK and thus are useful in compositions and methods for treating cancer and inflammatory disease.

  本文提供的化合物可抑制 MAPK 磷酸化，因此可用于治疗癌症和炎症性疾病的组合物和方法中。
• Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease
  申请人：SHY Therapeutics LLC

  公开号：US10588894B2

  公开（公告）日：2020-03-17

  Provided herein are methods and compositions for treating cancers, inflammatory diseases, rasopathies, and fibrotic disease involving aberrant Ras superfamily signaling through the binding of compounds to the GTP binding domain of Ras superfamily proteins including, in certain cases, K-Ras and mutants thereof, and a novel method for assaying such compositions.

  本文提供了通过化合物与 Ras 超家族蛋白（在某些情况下包括 K-Ras 及其突变体）的 GTP 结合结构域结合，治疗涉及 Ras 超家族信号异常的癌症、炎症性疾病、rasopathies 和纤维化疾病的方法和组合物，以及检测此类组合物的新方法。
• METHODS OF INHIBITING THE GHRELIN/GROWTH HORMONE SECRETATOGUE RECEPTOR PATHWAY AND USES THEREOF
  申请人：Bowers Cyril Y.

  公开号：US20120135918A1

  公开（公告）日：2012-05-31

  The invention provides methods for treatment, prevention or management of obesity, obesity related disorders, diabetes mellitus, and metabolic syndrome in a subject by administering a ghrelin O-acyltransferase (GOAT) inhibitor and/or a ghrelin receptor antagonist to the subject. The invention also provides ghrelin receptor antagonists of formula (VII): A 11 -A 12 -A 13 -Gly-Ser-A 14 -Phe-Leu-A 15 -A 16 -A 17 -A 18 , wherein each of A 11 , A 12 , and A 13 is independently absent, an amino acid, or an amino protecting group; each of A 15 -A 16 -A 17 , and A 18 is independently absent or an amino acid; and A 14 is a serine conjugated with a —C(O)C 1 -C 20 alky or a di-aminopropionic acid conjugated with a —C(O)C 1 -C 20 alkyl group, provided that at least one of A 11 , A 12 , or A 13 is present.
• COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE
  申请人：SHY Therapeutics LLC

  公开号：US20190022074A1

  公开（公告）日：2019-01-24

  Provided herein are methods and compositions for treating cancers, inflammatory diseases, rasopathies, and fibrotic disease involving aberrant Ras superfamily signaling through the binding of compounds to the GTP binding domain of Ras superfamily proteins including, in certain cases, K-Ras and mutants thereof, and a novel method for assaying such compositions.