3-(piperidinon)phenylsulfonyl-L-phenylalanine(3-amidino)-4-(methylamidobuteryl)piperidide | 1042926-64-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 3-(piperidinon)phenylsulfonyl-L-phenylalanine(3-amidino)-4-(methylamidobuteryl)piperidide
• 英文别名: US8569313, Inhibitor 30；4-[1-[(2S)-3-(3-carbamimidoylphenyl)-2-[[3-(2-oxopiperidin-1-yl)phenyl]sulfonylamino]propanoyl]piperidin-4-yl]-N-methylbutanamide
• CAS: 1042926-64-6
• 化学式: C₃₁H₄₂N₆O₅S
• 分子量: 610.778
• InChiKey: UPMVJVVBBLWOSP-MHZLTWQESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  43
• 可旋转键数：
  12
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  174
• 氢给体数：
  4
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  在 palladium on activated charcoal 、 氢气 作用下， 以 溶剂黄146 为溶剂， 生成 3-(piperidinon)phenylsulfonyl-L-phenylalanine(3-amidino)-4-(methylamidobuteryl)piperidide
  参考文献：
  名称：

  Incorporation of neutral C-terminal residues in 3-amidinophenylalanine-derived matriptase inhibitors

  摘要：

  A novel series of matriptase inhibitors based on previously identified tribasic 3-amidinophenylalanine derivatives was prepared. The C-terminal basic group was replaced by neutral residues to reduce the hydrophilicity of the inhibitors. The most potent compound 22 inhibits matriptase with a K-i value of 0.43 nM, but lacks selectivity towards factor Xa. By combination with neutral N-terminal sulfonyl residues several potent thrombin inhibitors were identified, which had reduced matriptase affinity. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.02.047

文献信息

• META-SUBSTITUTED PHENYL SULFONYL AMIDES OF SECONDARY AMINO ACID AMIDES, THE PRODUCTION THEREOF, AND USE THEREOF AS MATRIPTASE INHIBITORS
  申请人：Steinmetzer Torsten

  公开号：US20100305090A1

  公开（公告）日：2010-12-02

  The invention relates to meta-substituted phenyl sulfonyl amides of secondary amino acid amides according to the general formula (I), (II), or (III), the production thereof, and the use thereof as matriptase inhibitors, in particular the use thereof as drugs for inhibiting tumor growth and/or metastasization.

  该发明涉及通式（I）、（II）或（III）的次级氨基酸酰胺的亚苯基磺酰胺，其制备方法以及其作为matriptase抑制剂的用途，特别是其作为抑制肿瘤生长和/或转移的药物的用途。
• US8569313B2
  申请人：——

  公开号：US8569313B2

  公开（公告）日：2013-10-29