2-(2-Propen-1-yl)-3-pyridinecarboxylic acid | 1211536-95-6

• 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
• 英文名称: 2-(2-Propen-1-yl)-3-pyridinecarboxylic acid
• 英文别名: 2-prop-2-enylpyridine-3-carboxylic acid
• CAS: 1211536-95-6
• 化学式: C₉H₉NO₂
• 分子量: 163.17
• InChiKey: FIKNIYYCFUWJGU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  50.2
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• [EN] PEPTIDIC STRUCTURES INCORPORATING AN AMINO ACID METAL COMPLEX AND APPLICATIONS IN MAGNETIC RESONANCE IMAGING<br/>[FR] STRUCTURES PEPTIDIQUES INCORPORANT UN COMPLEXE ACIDE AMINÉ-MÉTAL ET APPLICATIONS EN IMAGERIE À RÉSONANCE MAGNÉTIQUE
  申请人：GEN HOSPITAL CORP

  公开号：WO2014075079A1

  公开（公告）日：2014-05-15

  A method for increasing the relaxivity of a contrast agent having a metal ion complexed to a chelator is disclosed. The metal ion complex is tethered to the remainder of the molecule by at least two points of attachment such that local motion is limited and higher relaxivity can be achieved. In one non-limiting example version of the invention, the alanine analogue of Gd(DOTA), Gd(DOTAIa) wherein Gd is gadolinium and DOTA is 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid was integrated into polypeptide structures. This resulted in very rigid attachment of the metal ion complex to the peptide backbone. Rigid molecular structures provide fewer degrees of rotational freedom, resulting in greater control over the rotational dynamics and resultant relaxivity. In the case of Gd(DOTAIa), the metal complex is tethered to the peptide via the amino acid side chain to the DOTA moiety and via a dative bond from an amide oxygen to the Gd(lll) ion.

  揭示了一种增加对比剂弛豫率的方法，该对比剂具有与螯合剂络合的金属离子。金属离子络合物通过至少两个连接点与分子的其余部分相连，从而限制局部运动并实现更高的弛豫率。在发明的一个非限制性示例版本中，将Gd(DOTA)的丙氨酸类似物Gd(DOTAIa)（其中Gd为钆，DOTA为1,4,7,10-四氮杂环十二酸-1,4,7,10-四乙酸）整合到多肽结构中。这导致金属离子复合物与肽骨架的非常刚性连接。刚性分子结构提供较少的旋转自由度，从而更好地控制旋转动力学和结果弛豫率。在Gd(DOTAIa)的情况下，金属络合物通过氨基酸侧链与DOTA基团相连，并通过酰胺氧原子与Gd(lll)离子之间的配位键相连。
• Alkylpyridyl Quinolines as Nk3 Receptor Modulators
  申请人：Albert Jeffrey S.

  公开号：US20080287492A1

  公开（公告）日：2008-11-20

  Compounds of Formula I wherein R 1 , A, R 2 , R 3 , R 4 , R 5 , n, m and p are as described in the specification, pharmaceutically-acceptable salts, methods of making, pharmaceutical compositions containing and methods for using the same.

  本发明涉及公式I的化合物，其中R1、A、R2、R3、R4、R5、n、m和p如规范所述，以及药学上可接受的盐、制备方法、含有该化合物的药物组合物以及使用该化合物的方法。
• PEPTIDIC STRUCTURES INCORPORATING AN AMINO ACID METAL COMPLEX AND APPLICATIONS IN MAGNETIC RESONANCE IMAGING
  申请人：THE GENERAL HOSPITAL CORPORATION

  公开号：US20150297761A1

  公开（公告）日：2015-10-22

  A method for increasing the relaxivity of a contrast agent having a metal ion complexed to a chelator is disclosed. The metal ion complex is tethered to the remainder of the molecule by at least two points of attachment such that local motion is limited and higher relaxivity can be achieved. In one non-limiting example version of the invention, the alanine analogue of Gd(DOTA), Gd(DOTAla) wherein Gd is gadolinium and DOTA is 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid was integrated into polypeptide structures. This resulted in very rigid attachment of the metal ion complex to the peptide backbone. Rigid molecular structures provide fewer degrees of rotational freedom, resulting in greater control over the rotational dynamics and resultant relaxivity. In the case of Gd(DOTAla), the metal complex is tethered to the peptide via the amino acid side chain to the DOTA moiety and via a dative bond from an amide oxygen to the Gd(III) ion.

  本发明揭示了一种增加金属离子与螯合剂配合物的弛豫度的方法。金属离子复合物通过至少两个连接点与分子的其余部分相连，从而限制局部运动，从而可以实现更高的弛豫度。在本发明的一个非限制性示例版本中，将Gd(DOTA)的丙氨酸类似物，Gd(DOTAla)（其中Gd是钆，DOTA是1,4,7,10-四氮杂环十二烷-1,4,7,10-四乙酸）整合到多肽结构中。这导致金属离子复合物与肽骨架之间非常严格的连接。刚性分子结构提供较少的旋转自由度，从而实现对旋转动力学和弛豫度的更好控制。在Gd(DOTAla)的情况下，金属配合物通过氨基酸侧链与DOTA基团相连，并通过酰胺氧原子与Gd（III）离子形成配位键。
• Process for preparing pyridine carboxylic acid derivatives
  申请人：HOECHST CELANESE CORPORATION

  公开号：EP0415767A2

  公开（公告）日：1991-03-06

  A method for preparing pyridine carboxylic acid esters by reacting N-hydroxyamino derivatives of the formula: wherein R₅ and R₆ are each independently H, COZ, or CN, provided that they are not both H; or R₅ and R₆ together are -CO-NR₁₀-CO; Z is OR₈ or NR₈R₉; R₈ and R₉are each independently H or alkyl or aryl; or R₈ and R₉ together with the nitrogen atom form an aliphatic or aromatic heterocyclic structures and R₁₀ is hydrogen, alkyl, aryl, hydroxy or an alkoxy of 1-6 carbon atoms; with an α,β-unsaturated aldehyde or ketone is disclosed. In an additional embodiment, an alkene of formula R₅-CH=CH-R₆, wherein R₅ and R₆ are defined as above, is reacted with hydroxylamine or a salt thereof to form N-hydroxylamino derivatives which are then treated as above.

  一种通过与式中的 N-羟基氨基衍生物反应制备吡啶甲酸酯的方法： 其中R₅和R₆各自独立地为H、COZ或CN，但它们不能都是H；或R₅和R₆一起为-CO-NR₁₀-CO；Z为OR₈或NR₈；R₈和R₉各自独立地为H或烷基或芳基；或 R₈ 和 R𠢙 与氮原子一起形成脂肪族或芳香族杂环结构，且 R₁₀ 是氢、烷基、芳基、羟基或 1-6 个碳原子的烷氧基；公开了具有 α、β-不饱和醛或酮的化合物。在另一个实施方案中，式 R₅-CH=CH-R₆（其中 R₅ 和 R₆ 定义如上）的烯烃与羟胺或其盐反应生成 N-羟基氨基衍生物，然后按上述方法处理。
• A method of the preparation of N-hydroxy aspartic acid derivate
  申请人：HOECHST CELANESE CORPORATION

  公开号：EP0452094A2

  公开（公告）日：1991-10-16

  The present invention pertains to a method of preparing substituted and unsubstituted N-hydroxy-2-aminobutane diacid derivatives which can be dehydrated to 2-aminobut-2-ene dioic acid derivatives, which can be subsequently converted to pyridine and quinoline derivatives.

  本发明涉及一种制备取代和未取代的 N-羟基-2-氨基丁烷二酸衍生物的方法，这些衍生物可脱水为 2-氨基丁-2-烯二酸衍生物，随后可转化为吡啶和喹啉衍生物。