methyl 2-(3-((benzylsulfonyl)amino)-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)acetate | 220324-59-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: methyl 2-(3-((benzylsulfonyl)amino)-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)acetate
• 英文别名: methyl 2-[3-(benzylsulfonylamino)-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetate
• CAS: 220324-59-4
• 化学式: C₂₀H₂₂N₂O₅S
• 分子量: 402.471
• InChiKey: PSRNLLZHYGADHM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  28
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  101
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  methyl 2-(3-((benzylsulfonyl)amino)-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)acetate 在 palladium on activated charcoal N-甲基吗啉 、 lithium hydroxide 、 氢气 、 1-羟基苯并三唑 、 溶剂黄146 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 作用下， 以 甲醇 、 乙醇 、 乙腈 为溶剂， 生成
  参考文献：
  名称：

  Novel benzo-fused lactam scaffolds as factor Xa inhibitors

  摘要：

  Rigid benzolactam P-3-P-2 dipeptide mimics were designed and prepared as potential inhibitors of blood coagulation factor Xa. Methoxy substitution of the tetrahydrobenzazepinone scaffold led to potent and selective inhibitors. The synthesis and biological activities of these derivatives are reported herein. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00417-5
• 作为产物：
  描述：

  methyl 2-(3-(((9H-9-fluorenylmethoxy)carbonyl)amino)-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)acetate 在 二乙胺 、 三乙胺 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 生成 methyl 2-(3-((benzylsulfonyl)amino)-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)acetate
  参考文献：
  名称：

  Novel benzo-fused lactam scaffolds as factor Xa inhibitors

  摘要：

  Rigid benzolactam P-3-P-2 dipeptide mimics were designed and prepared as potential inhibitors of blood coagulation factor Xa. Methoxy substitution of the tetrahydrobenzazepinone scaffold led to potent and selective inhibitors. The synthesis and biological activities of these derivatives are reported herein. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00417-5

文献信息

• Selective factor Xa inhibitors
  申请人：Cor Therapeutics, Inc.

  公开号：US06228854B1

  公开（公告）日：2001-05-08

  Novel compounds, their salts and compositions related thereto having activity against mammalian factor Xa are disclosed. The compounds are useful in vitro or in vivo for preventing or treating coagulation disorders.

  揭示了对哺乳动物因子Xa具有活性的新化合物、它们的盐和相关组合物。这些化合物在体外或体内用于预防或治疗凝血障碍。
• SELECTIVE FACTOR Xa INHIBITORS
  申请人：COR THERAPEUTICS, INC.

  公开号：EP0994894A1

  公开（公告）日：2000-04-26
• US6228854B1
  申请人：——

  公开号：US6228854B1

  公开（公告）日：2001-05-08
• [EN] SELECTIVE FACTOR Xa INHIBITORS<br/>[FR] INHIBITEURS SELECTIFS DU FACTEUR Xa
  申请人：COR THERAPEUTICS, INC.

  公开号：WO1999007731A1

  公开（公告）日：1999-02-18

  (EN) Novel compounds, their salts and compositions related thereto having activity against mammalian factory Xa are disclosed. The compounds are useful $i(in vitro) or $i(vivo) for preventing or treating coagulation disorders and have formula (I).(FR) La présente invention concerne de nouveaux composés, ainsi que leurs sels et leurs compositions, efficaces contre le facteur Xa mammalien. Ces composés, représentés par la formule (I), sont utiles in vitro et in vivo pour prévenir ou traiter les troubles de la coagulation.
• Novel benzo-fused lactam scaffolds as factor Xa inhibitors
  作者：Susan Y. Tamura、Erick A. Goldman、Peter W. Bergum、J. Edward Semple

  DOI：10.1016/s0960-894x(99)00417-5

  日期：1999.9

  Rigid benzolactam P-3-P-2 dipeptide mimics were designed and prepared as potential inhibitors of blood coagulation factor Xa. Methoxy substitution of the tetrahydrobenzazepinone scaffold led to potent and selective inhibitors. The synthesis and biological activities of these derivatives are reported herein. (C) 1999 Elsevier Science Ltd. All rights reserved.