ethyl 2-[methyl(1-{[2-(4-pyridyl)-2,8-diazaspiro[4.5]dec-8-yl]carbonyl}-4-piperidyl)amino]acetate | 336191-78-7

• 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-[methyl(1-{[2-(4-pyridyl)-2,8-diazaspiro[4.5]dec-8-yl]carbonyl}-4-piperidyl)amino]acetate
• 英文别名: ethyl 2-[methyl-[1-(2-pyridin-4-yl-2,8-diazaspiro[4.5]decane-8-carbonyl)piperidin-4-yl]amino]acetate
• CAS: 336191-78-7
• 化学式: C₂₄H₃₇N₅O₃
• 分子量: 443.589
• InChiKey: MQIYCUFTJFBMDI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  32
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  69.2
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  ethyl 2-[methyl(1-{[2-(4-pyridyl)-2,8-diazaspiro[4.5]dec-8-yl]carbonyl}-4-piperidyl)amino]acetate 在 盐酸 作用下， 生成 2-[methyl(1-{[2-(pyridin-4-yl)-2,8-diazaspiro[4.5]dec-8-yl]carbonyl}-4-piperidyl)-amino]acetic acid
  参考文献：
  名称：

  Spirocyclic nonpeptide glycoprotein IIb–IIIa antagonists. Part 3: synthesis and SAR of potent and specific 2,8-diazaspiro[4.5]decanes

  摘要：

  The synthesis and biological activity of analogues containing spiro piperidinylpyridine and pyrrolidinylpyridine templates are described. The potent activity of these compounds as platelet aggregation inhibitors demonstrates the utility of the spiro structures as central template for nonpeptide RGD mimics. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00095-1
• 作为产物：
  描述：

  2-(甲基氨基)乙酸乙酯 在 palladium on activated charcoal 氢气 、 三乙酰氧基硼氢化钠 、 溶剂黄146 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 生成 ethyl 2-[methyl(1-{[2-(4-pyridyl)-2,8-diazaspiro[4.5]dec-8-yl]carbonyl}-4-piperidyl)amino]acetate
  参考文献：
  名称：

  Spirocyclic nonpeptide glycoprotein IIb–IIIa antagonists. Part 3: synthesis and SAR of potent and specific 2,8-diazaspiro[4.5]decanes

  摘要：

  The synthesis and biological activity of analogues containing spiro piperidinylpyridine and pyrrolidinylpyridine templates are described. The potent activity of these compounds as platelet aggregation inhibitors demonstrates the utility of the spiro structures as central template for nonpeptide RGD mimics. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00095-1
• 作为试剂：
  描述：

  4-nitrophenyl 4-[(2-ethoxy-2-oxoethyl)(methyl)amino]-1-piperidinecarboxylate 、 2-(pyridin-4-yl)-2,8-diazaspiro[4.5]decane hydrochloride 在 ethyl 2-[methyl(1-{[2-(4-pyridyl)-2,8-diazaspiro[4.5]dec-8-yl]carbonyl}-4-piperidyl)amino]acetate 作用下， 以to afford the ester of the title compound (50 mg)的产率得到ethyl 2-[methyl(1-{[2-(4-pyridyl)-2,8-diazaspiro[4.5]dec-8-yl]carbonyl}-4-piperidyl)amino]acetate
  参考文献：
  名称：

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

  摘要：

  本发明涉及一些含有取代或未取代吡啶基的螺环化合物，其含有基本和酸性功能团，可用于抑制血小板聚集，抑制纤维蛋白原与血小板的结合，以及预防或治疗血栓形成。

  公开号：

  US20030055244A1

文献信息

• 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
• 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。
• Spirocyclic nonpeptide glycoprotein IIb–IIIa antagonists. Part 3: synthesis and SAR of potent and specific 2,8-diazaspiro[4.5]decanes
  作者：Mukund M. Mehrotra、Julie A. Heath、Jack W. Rose、Mark S. Smyth、Joseph Seroogy、Deborah L. Volkots、Gerd Ruhter、Theo Schotten、Lisa Alaimo、Gary Park、Anjali Pandey、Robert M. Scarborough

  DOI：10.1016/s0960-894x(02)00095-1

  日期：2002.4

  The synthesis and biological activity of analogues containing spiro piperidinylpyridine and pyrrolidinylpyridine templates are described. The potent activity of these compounds as platelet aggregation inhibitors demonstrates the utility of the spiro structures as central template for nonpeptide RGD mimics. (C) 2002 Elsevier Science Ltd. All rights reserved.