4-Cyano-1-(2-tetrahydropyranyl)oxy-butan | 52054-80-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧烷类
• 英文名称: 4-Cyano-1-(2-tetrahydropyranyl)oxy-butan
• 英文别名: 5-tetrahydropyran-2-yloxy-valeronitrile；5-(Oxan-2-yloxy)pentanenitrile
• CAS: 52054-80-5
• 化学式: C₁₀H₁₇NO₂
• 分子量: 183.25
• InChiKey: BHVQBYXMOIGFMD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  13
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  42.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-Cyano-1-(2-tetrahydropyranyl)oxy-butan 在 羟胺 作用下， 生成 N-Hydroxy-5-(tetrahydro-pyran-2-yloxy)-pentanamidine
  参考文献：
  名称：

  Convergent, parallel synthesis of a series of β-substituted 1,2,4-oxadiazole butanoic acids as potent and selective αvβ3 receptor antagonists

  摘要：

  We describe a series of 1,2,4-oxadiazoles, which are potent antagonists of the integrin alpha(V)beta(3) and, in addition, show selectivity relative to the other beta(3) integrin alpha(IIB)beta(3). In whole cells, the majority of these analogs also demonstrated modest selectivity against other alpha(V), integrins such as alpha(V)beta(1) and alpha(V)beta(6). (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.11.008
• 作为产物：
  描述：

  2-(4-氯丁氧基)四氢吡喃 、 氰化钠 在 sodium iodide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 4-Cyano-1-(2-tetrahydropyranyl)oxy-butan
  参考文献：
  名称：

  Convergent, parallel synthesis of a series of β-substituted 1,2,4-oxadiazole butanoic acids as potent and selective αvβ3 receptor antagonists

  摘要：

  We describe a series of 1,2,4-oxadiazoles, which are potent antagonists of the integrin alpha(V)beta(3) and, in addition, show selectivity relative to the other beta(3) integrin alpha(IIB)beta(3). In whole cells, the majority of these analogs also demonstrated modest selectivity against other alpha(V), integrins such as alpha(V)beta(1) and alpha(V)beta(6). (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.11.008

文献信息

• Brønsted Base-Modulated Regioselective Pd-Catalyzed Intramolecular Aerobic Oxidative Amination of Alkenes: Formation of Seven-Membered Amides and Evidence for Allylic C−H Activation
  作者：Liang Wu、Shuifa Qiu、Guosheng Liu

  DOI：10.1021/ol900941t

  日期：2009.6.18

  A novel palladium-catalyzed intramolecular aerobic oxidative allylic C−H amination of olefins has been developed. Brønsted base can modulate the regioselectivity, favoring the formation of 7-membered rings. Mechanistic studies using deuterium-labeled substrates as probes support a rate-determining allylic C−H activation/irreversible reductive elimination pathway.

  已经开发了一种新型的钯催化的烯烃分子内需氧氧化烯丙基CH胺化反应。布朗斯台德碱可以调节区域选择性，有利于7元环的形成。使用氘标记的底物作为探针的机理研究支持决定速率的烯丙基CH活化/不可逆还原消除途径。
• Heteroarylakanoic acids as intergrin receptor antagonists
  申请人：——

  公开号：US20040092497A1

  公开（公告）日：2004-05-13

  The present invention relates to a class of compounds represented by formula (I) or a pharmaceutically acceptable salt thereof, pharmaceutical compositions comprising compounds of Formula (I), and methods of selectively antagonizing the &agr;&ngr;&bgr; 3 and/or the &agr;&ngr;&bgr; 5 integrin without significantly antagonizing the IIb/IIIa integrin. 1

  本发明涉及一类由式（I）表示的化合物或其药学上可接受的盐、包含式（I）化合物的制药组合物以及选择性拮抗&agr;&ngr;&bgr;3和/或&agr;&ngr;&bgr;5整合素而不显著拮抗IIb/IIIa整合素的方法。
• Heteroarylalkanoic acids as integrin receptor antagonists
  申请人：——

  公开号：US20020133023A1

  公开（公告）日：2002-09-19

  The present invention relates to a class of compounds represented by the Formula I 1 or a pharmaceutically acceptable salt thereof, pharmaceutical compositions comprising compounds of the Formula I, and methods of selectively antagonizing the &agr; V &bgr; 3 and/or the &agr; V &bgr; 5 integrin without significantly antagonizing the IIb/IIIa or &agr; V &bgr; 6 integrin.

  本发明涉及一类由式I1表示的化合物或其药学上可接受的盐，包括式I的药物组合物，并且涉及一种选择性拮抗&agr;V&bgr;3和/或&agr;V&bgr;5整合素而不显著拮抗IIb/IIIa或&agr;V&bgr;6整合素的方法。
• Crisan, Annales de Chimie (Cachan, France), 1956, vol. <13>1, p. 436,459
  作者：Crisan

  DOI：——

  日期：——
• HETEROARYLALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS
  申请人：Pharmacia Corporation

  公开号：EP1289983A2

  公开（公告）日：2003-03-12