ethyl 2(S)-2-{[(benzyloxy)carbonyl]amino}-5-oxo-5-[9-(4-pyridyl)-3,9-diazaspiro [5.5]undec-3-yl]pentanoate | 336190-93-3

• 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: ethyl 2(S)-2-{[(benzyloxy)carbonyl]amino}-5-oxo-5-[9-(4-pyridyl)-3,9-diazaspiro [5.5]undec-3-yl]pentanoate
• 英文别名: ethyl (2S)-5-oxo-2-(phenylmethoxycarbonylamino)-5-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)pentanoate
• CAS: 336190-93-3
• 化学式: C₂₉H₃₈N₄O₅
• 分子量: 522.645
• InChiKey: OYBHBOHPEVKASO-VWLOTQADSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  38
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  101
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  ethyl 2(S)-2-{[(benzyloxy)carbonyl]amino}-5-oxo-5-[9-(4-pyridyl)-3,9-diazaspiro [5.5]undec-3-yl]pentanoate 在 盐酸 作用下， 以53%的产率得到2(S)-2-{[(benzyloxy)carbonyl]amino}-5-oxo-5-[9-(4-pyridyl)-3,9-diazaspiro [5.5]undec-3-yl]pentanoic acid
  参考文献：
  名称：

  Pyridyl-containing spirocyclic compounds as inhibitors of fibrinogen-dependent platelet aggregation

  摘要：

  本发明涉及某些含有取代或未取代吡啶基的螺环化合物，其取代有碱性和酸性功能，可用于抑制血小板聚集，抑制纤维蛋白原与血小板的结合，并预防或治疗血栓形成。

  公开号：

  US20030055244A1
• 作为产物：
  描述：

  N-苄氧羰基-L-谷氨酸γ-叔丁酯 在 1-羟基苯并三唑 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 、 N,N-二异丙基乙胺 、 三氟乙酸 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 ethyl 2(S)-2-{[(benzyloxy)carbonyl]amino}-5-oxo-5-[9-(4-pyridyl)-3,9-diazaspiro [5.5]undec-3-yl]pentanoate
  参考文献：
  名称：

  Spirocyclic nonpeptide glycoprotein IIb–IIIa antagonists. Part 1: design of potent and specific 3,9-diazaspiro[5.5]undecanes

  摘要：

  The synthesis and biological activity of novel glycoprotein IIb-IIIa antagonists containing the 3,9-diazaspiro[5.5]undecane nucleus an described. The potent activity of these compounds as platelet aggregation inhibitors demonstrates the utility of the spirocyclic structures as central template for nonpeptide RGD mimics. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00215-3

文献信息

• Pyridyl-containing spirocyclic compounds as inhibitors of fibrinogen-dependent platelet aggregation
  申请人：——

  公开号：US20030055244A1

  公开（公告）日：2003-03-20

  Disclosed are certain substituted or unsubstituted pyridyl-containing spirocyclic compounds substituted with both basic and acidic functionality, which are useful in inhibiting platelet aggregation, inhibiting the binding of fibrinogen to blood platelets, and preventing or treating thrombosis

  本发明涉及某些含有取代或未取代吡啶基的螺环化合物，其取代有碱性和酸性功能，可用于抑制血小板聚集，抑制纤维蛋白原与血小板的结合，并预防或治疗血栓形成。
• PYRIDYL-CONTAINING SPIROCYCLIC COMPOUNDS AS INHIBITORS OF FIBRINOGEN-DEPENDENT PLATELET AGGREGATION
  申请人：Millennium Pharmaceuticals, Inc.

  公开号：EP1224186B1

  公开（公告）日：2003-09-24
• [EN] PYRIDYL-CONTAINING SPIROCYCLIC COMPOUNDS AS INHIBITORS OF FIBRINOGEN-DEPENDENT PLATELET AGGREGATION<br/>[FR] COMPOSES SPIROCYCLIQUES PYRIDILES INHIBITEURS DE L'AGREGATION PLAQUETTAIRE DEPENDANT DES FIBRINOGENES
  申请人：COR THERAPEUTICS INC

  公开号：WO2001030780A2

  公开（公告）日：2001-05-03

  This invention relates to certain substituted or unsubstituted pyridyl-containing spirocyclic compounds substituted with both basic and acidic functionality, which are useful in inhibition of platelet aggregation.
• Spirocyclic nonpeptide glycoprotein IIb–IIIa antagonists. Part 1: design of potent and specific 3,9-diazaspiro[5.5]undecanes
  作者：M.S Smyth、J Rose、M.M Mehrotra、J Heath、G Ruhter、T Schotten、J Seroogy、D Volkots、A Pandey、R.M Scarborough

  DOI：10.1016/s0960-894x(01)00215-3

  日期：2001.5

  The synthesis and biological activity of novel glycoprotein IIb-IIIa antagonists containing the 3,9-diazaspiro[5.5]undecane nucleus an described. The potent activity of these compounds as platelet aggregation inhibitors demonstrates the utility of the spirocyclic structures as central template for nonpeptide RGD mimics. (C) 2001 Elsevier Science Ltd. All rights reserved.