2-(2-吡啶基)-1,3,4-恶二唑 | 13428-22-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 2-(2-吡啶基)-1,3,4-恶二唑
• 英文名称: 2-(pyridin-2-yl)-1,3,4-oxadiazole
• 英文别名: 2-(1,3,4-Oxadiazol-2-yl)pyridine；2-pyridin-2-yl-1,3,4-oxadiazole
• CAS: 13428-22-3
• 化学式: C₇H₅N₃O
• mdl: MFCD12197169
• 分子量: 147.136
• InChiKey: VALSWZGKGWLKDT-UHFFFAOYSA-N

物化性质

• 熔点：
  115 °C(Solv: ethanol (64-17-5))
• 沸点：
  289.6±32.0 °C(Predicted)
• 密度：
  1?+-.0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  51.8
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  2-(2-吡啶基)-1,3,4-恶二唑 在 sodium t-butanolate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 8.0h， 以91%的产率得到2-氰基吡啶
  参考文献：
  名称：

  A Base-Induced Ring-Opening Process of 2-Substituted-1,3,4-Oxadiazoles for the Generation of Nitriles at Room Temperature

  摘要：

  A novel base-catalysed 1,3,4-oxadiazole fragmentation for the synthesis of nitriles at room temperature has been developed. This reaction is performed under transition-metal-free conditions, and provides a new ring cleavage reaction of 1,3,4-oxadiazoles in organic synthesis.

  DOI：

  10.3184/174751914x14007780679741
• 作为产物：
  描述：

  pyridine-2-carboxylic acid-(ethoxymethylene-hydrazide) 生成 2-(2-吡啶基)-1,3,4-恶二唑
  参考文献：
  名称：

  The Condensation of Aryl Carboxylic Acid Hydrazides with Orthoesters

  摘要：

  DOI：

  10.1021/ja01610a019

文献信息

• [EN] PYRIDIN-2-YL DERIVATIVES AS IMMUNOMODULATING AGENTS<br/>[FR] DÉRIVÉS DE PYRIDIN-2-YLE UTILISÉS COMME AGENTS IMMUNOMODULATEURS
  申请人：ACTELION PHARMACEUTICALS LTD

  公开号：WO2009109872A1

  公开（公告）日：2009-09-11

  The invention relates to pyridine derivatives of Formula (I), wherein A, R1, R2, R3, R4, R5, R6 and R7 are as described in the description, their preparation and their use as pharmaceutically active compounds. Said compounds particularly act as immunomodulating agents.

  这项发明涉及公式（I）的吡啶衍生物，其中A、R1、R2、R3、R4、R5、R6和R7如描述中所述，它们的制备以及它们作为药用活性化合物的用途。这些化合物特别作为免疫调节剂。
• 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS
  申请人：Hutchinson H. John

  公开号：US20070105866A1

  公开（公告）日：2007-05-10

  Described herein are compounds and pharmaceutical compositions containing such compounds, which modulate the activity of 5-lipoxygenase-activating protein (FLAP). Also described herein are methods of using such FLAP modulators, alone and in combination with other compounds, for treating respiratory, cardiovascular, and other leukotriene-dependent or leukotriene mediated conditions or diseases.

  本发明描述了调节5-脂氧合酶激活蛋白(FLAP)活性的化合物和含有该化合物的药物组合物。本发明还描述了单独使用和与其他化合物联合使用FLAP调节剂，用于治疗呼吸系统、心血管系统和其他白三烯依赖性或白三烯介导的状况或疾病。
• [EN] SUBSTITUTED OXADIAZOLE COMPOUNDS AND THEIR USE AS S1P1 AGONISTS<br/>[FR] COMPOSÉS OXADIAZOLES SUBSTITUÉS ET LEUR UTILISATION EN TANT QU'AGONISTES DU S1P1
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2012040532A1

  公开（公告）日：2012-03-29

  Disclosed are compounds of Formula (I): [PLEASE INSERT CHEMICAL STRUCTURE HERE] or stereoisomers, N-oxides, salts, or prodrugs thereof; wherein: Ring A is phenyl or 5- to 6-membered heteroaryl; (i) R1 and R2 are independently C1-C4 alkyl; or (ii) R1 and R2 together with the carbon atom to which they are attached, form a cyclic group; Q is phenyl or 5- to 6-membered heteroaryl substituted with zero to 3 substituents; and R3, L1, L2, and n are defined herein. Also disclosed are methods of using such compounds as selective agonists for G protein-coupled receptor S1P1, and pharmaceutical compositions comprising such compounds. These compounds are useful in treating, preventing, or slowing the progression of diseases or disorders in a variety of therapeutic areas, such as autoimmune diseases and vascular disease.

  公开了式(I)的化合物：[请在此处插入化学结构]或其立体异构体、N-氧化物、盐或前药；其中：环A是苯基或5至6元杂芳基；(i) R1和R2各自独立地是C1-C4烷基；或(ii) R1和R2与其所连接的碳原子一起形成一个环状基团；Q是带有零至3个取代基的苯基或5至6元杂芳基；并且R3、L1、L2和n如本文所定义。还公开了使用这些化合物作为G蛋白偶联受体S1P1的选择性激动剂的方法，以及包含这些化合物的药物组合物。这些化合物在治疗、预防或减缓各种治疗领域中的疾病或障碍的进展方面有用，例如自身免疫性疾病和血管疾病。
• ALIPHATIC-AROMATIC HETEROCYCLIC COMPOUNDS AND USES THEREOF IN METAL EXTRACTANT COMPOSITIONS
  申请人：CYTEC INDUSTRIES INC.

  公开号：US20160244860A1

  公开（公告）日：2016-08-25

  The invention relates to an aliphatic-aromatic heterocyclic compound A which comprises at least two heterocyclic rings B and C, to a metal extractant composition E comprising this aliphatic-aromatic heterocyclic compound A and an organic acid D having at least one carboxylic, sulfonic, sulfuric, phosphinic, phosphonic, or phosphoric acid group, and to a process to extract one or more metals M selected from the group consisting of Ni and Co from an aqueous acidic leach solution PL comprising ions of at least one of the metals M, and further, at least one kind of further ions selected from the group consisting of Fe ions, Al ions, Cu ions, Mg ions, Mn ions, and also silicate anions, by mixing the solution PL with an extractant composition E, separating the organic and aqueous phases, and recovering the metal M from the separated organic phase.

  该发明涉及一种脂肪族-芳香族杂环化合物A，该化合物A包括至少两个杂环B和C，以及一种金属萃取剂组合物E，该组合物E包括该脂肪族-芳香族杂环化合物A和一种有至少一个羧基、磺酸基、硫酸基、膦基、膦酸基或磷酸基的有机酸D，以及用于从含有至少一种金属M离子的水酸性浸出溶液PL中萃取来自Ni和Co组的一种或多种金属M的过程，以及至少一种进一步离子，所述进一步离子选自Fe离子、Al离子、Cu离子、Mg离子、Mn离子以及硅酸根离子，通过将溶液PL与萃取剂组合物E混合，分离有机相和水相，并从分离的有机相中回收金属M。
• ¹¹³Cd Solid-State NMR for Probing the Coordination Sphere in Metal-Organic Frameworks
  作者：Anusree Viswanath Kuttatheyil、Marcel Handke、Jens Bergmann、Daniel Lässig、Jörg Lincke、Jürgen Haase、Marko Bertmer、Harald Krautscheid

  DOI：10.1002/chem.201405395

  日期：2015.1.12

  material is unavailable. 113Cd solid‐state NMR is easy to measure and is a highly sensitive probe because the coordination number, the nature of coordinating groups, and the geometry around the metal ion is reflected by the isotropic chemical shift and the chemical‐shift anisotropy. Here, a detailed investigation of a series of 27 cadmium coordination polymers by 113Cd solid‐state NMR is reported. The results

  光谱技术是确定结构的强大工具，尤其是在没有单晶材料的情况下。113 Cd固态NMR易于测量并且是高度灵敏的探针，因为各向同性化学位移和化学位移各向异性反映了配位数，配位基团的性质以及金属离子周围的几何形状。在这里，通过113 Cd固态NMR对一系列27种镉配位聚合物进行了详细研究。获得的结果表明113Cd NMR是表征镉环境的非常敏感的工具，也适用于非单晶材料。此外，该方法还可以观察客体诱导的相变，从而有助于理解协调框架的结构灵活性。