3-(2-methyl-4-pyrimidinyl)phenyl sulfonyl-L-phenylalanine(3-amidino)-4-(2-aminoethyl)piperidide | 1042926-28-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 3-(2-methyl-4-pyrimidinyl)phenyl sulfonyl-L-phenylalanine(3-amidino)-4-(2-aminoethyl)piperidide
• 英文别名: 3-{(S)-3-[4-(2-Amino-ethyl)-piperidin-1-yl]-2-[3-(2-methyl-pyrimidin-4-yl)-benzenesulfonylamino]-3-oxo-propyl}-benzamidine；3-[(2S)-3-[4-(2-aminoethyl)piperidin-1-yl]-2-[[3-(2-methylpyrimidin-4-yl)phenyl]sulfonylamino]-3-oxopropyl]benzenecarboximidamide
• CAS: 1042926-28-2
• 化学式: C₂₈H₃₅N₇O₃S
• 分子量: 549.697
• InChiKey: DCUSGCCZHGGHAR-SANMLTNESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  39
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  177
• 氢给体数：
  4
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  在 三氟乙酸 作用下， 反应 1.0h， 生成 3-(2-methyl-4-pyrimidinyl)phenyl sulfonyl-L-phenylalanine(3-amidino)-4-(2-aminoethyl)piperidide
  参考文献：
  名称：

  Modification of the N-terminal sulfonyl residue in 3-amidinophenylalanine-based matriptase inhibitors

  摘要：

  Replacement of the N-terminal beta-alanyl-amide moiety in previously identified matriptase inhibitors by non-charged aryl groups caused a slightly decreased potency and partially reduced selectivity, especially towards thrombin. However, some of these analogues are still potent matriptase inhibitors with K(i)-values <10 nM. In contrast, improved activity was observed for newly designed tribasic analogues, especially for compound 21, which inhibits matriptase with an K(i)-value of 80 pM. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.11.019

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。
• Matriptase inhibitors and uses thereof against orthomyxoviridae infections
  申请人：Socpra Sciences Sante Et Humaines S.E.C.

  公开号：US10208308B2

  公开（公告）日：2019-02-19

  The present invention provides matriptase inhibitors and compositions for treating and preventing orthomyxovirus infections such as flue infections. The present invention also provides novel compounds, compositions, methods of use, uses and kits thereof for inhibiting matriptase. Such compounds are useful for treating and prevention orthomyxovirus infections, such as flu infections, and for inhibiting tumor growth, progression and/or metastasis.

  本发明提供了用于治疗和预防正粘病毒感染（如絮状病毒感染）的matriptase抑制剂和组合物。本发明还提供了用于抑制 matriptase 的新型化合物、组合物、使用方法、用途及其试剂盒。此类化合物可用于治疗和预防正粘病毒感染，如流感感染，以及抑制肿瘤的生长、恶化和/或转移。
• MATRIPTASE INHIBITORS AND USES THEREOF AGAINST ORTHOMYXOVIRIDAE INFECTIONS
  申请人：Socpra Sciences Sante Et Humaines S.E.C.

  公开号：US20170314023A1

  公开（公告）日：2017-11-02

  The present invention provides matriptase inhibitors and compositions for treating and preventing orthomyxovirus infections such as flue infections. The present invention also provides novel compounds, compositions, methods of use, uses and kits thereof for inhibiting matriptase. Such compounds are useful for treating and prevention orthomyxovirus infections, such as flu infections, and for inhibiting tumor growth, progression and/or metastasis.
• US8569313B2
  申请人：——

  公开号：US8569313B2

  公开（公告）日：2013-10-29