6-氟吡哆醛 | 42242-42-2

• 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: 6-氟吡哆醛
• 英文名称: 2-fluoro-5-hydroxy-3-hydroxymethyl-6-methyl-pyridine-4-carbaldehyde
• 英文别名: 6-Fluoropyridoxal；2-fluoro-5-hydroxy-3-(hydroxymethyl)-6-methylpyridine-4-carbaldehyde
• CAS: 42242-42-2
• 化学式: C₈H₈FNO₃
• mdl: MFCD00868335
• 分子量: 185.155
• InChiKey: NTOKCJHDRACAJH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  70.4
• 氢给体数：
  2
• 氢受体数：
  5

安全信息

• 海关编码：
  2933399090

反应信息

• 作为反应物：
  描述：

  6-氟吡哆醛 在 manganese(IV) oxide 、 氢氧化钾 作用下， 以 乙醇 为溶剂， 反应 24.0h， 以57%的产率得到2-fluoro-5-hydroxy-3-(hydroxymethyl)-6-methylpyridine-4-carboxylic acid
  参考文献：
  名称：

  Development of novel 19 F NMR pH indicators: synthesis and evaluation of a series of fluorinated vitamin B 6 analogues

  摘要：

  We have synthesized a series of novel fluorinated vitamin B-6 analogues (6-fluoropyridoxol derivatives) as potential F-19 NMR pH indicators for use in vivo. Modifications included addition of aldehyde, carboxyl or aminomethyl groups at the 4- or 5-ring position, and examination of a trifluoromethyl moiety as an internal chemical shift standard. The variation in chemical shift with respect to acid-base titration showed pK(a) values in the range 7.05-9.5 with a chemical shift sensitivity in the range 7.4-12 ppm. Several of the molecules readily cross cell membranes providing estimates of both intra- and extra-cellular pH in whole blood. 6-Fluoropyridoxamine (6-FPAM) exhibits a pK(a) = 7.05, which is closer to normal physiological pH than the parent molecule 6-fluoropyridoxol (6-FPOL) (pK(a) = 8.2), and should thus, be useful for precise and accurate measurements of pH in vivo. Enhanced spectral resolution for 6-FPAM over 6-FPOL is demonstrated in whole blood and the perfused rat heart. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(98)00104-7
• 作为产物：
  描述：

  6-fluoropyridoxol 在 manganese(IV) oxide 作用下， 以 水 为溶剂， 反应 2.5h， 以61%的产率得到6-氟吡哆醛
  参考文献：
  名称：

  Development of novel 19 F NMR pH indicators: synthesis and evaluation of a series of fluorinated vitamin B 6 analogues

  摘要：

  We have synthesized a series of novel fluorinated vitamin B-6 analogues (6-fluoropyridoxol derivatives) as potential F-19 NMR pH indicators for use in vivo. Modifications included addition of aldehyde, carboxyl or aminomethyl groups at the 4- or 5-ring position, and examination of a trifluoromethyl moiety as an internal chemical shift standard. The variation in chemical shift with respect to acid-base titration showed pK(a) values in the range 7.05-9.5 with a chemical shift sensitivity in the range 7.4-12 ppm. Several of the molecules readily cross cell membranes providing estimates of both intra- and extra-cellular pH in whole blood. 6-Fluoropyridoxamine (6-FPAM) exhibits a pK(a) = 7.05, which is closer to normal physiological pH than the parent molecule 6-fluoropyridoxol (6-FPOL) (pK(a) = 8.2), and should thus, be useful for precise and accurate measurements of pH in vivo. Enhanced spectral resolution for 6-FPAM over 6-FPOL is demonstrated in whole blood and the perfused rat heart. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(98)00104-7

文献信息

• Use of particulate contrast agents in diagnostic imaging for studying physiological paramaters
  申请人：Fossheim Lise Sigrid

  公开号：US20050136002A1

  公开（公告）日：2005-06-23

  The present invention relates to a method of imaging of an animate human or non-human animal body, which method comprises: administering parenterally to said body a particulate material comprising a matrix or membrane material and at least one contrast generating species, which matrix or membrane material is responsive to a pre-selected physiological parameter whereby to alter the contrast efficacy of said species in response to a change in the value of said parameter; generating image data of at least part of said body in which said species is present; and generating therefrom a signal indicative of the value or variation of said parameter in said part of said body. The invention also relates to contrast media for imaging a physioloogical parameter.

  本发明涉及一种用于成像活体人类或非人类动物体的方法，该方法包括：将包含基质或膜材料和至少一种对比产生物的颗粒材料经肠外途径注入到该体内，其中所述基质或膜材料对预选生理参数具有响应性，以便在所述参数值发生变化时改变所述物种的对比效能；在存在所述物种的至少一部分体内生成图像数据；并从中生成一个信号，该信号指示所述部位体内所述参数的值或变化。本发明还涉及用于成像生理参数的对比介质。
• USE OF PARTICULATE CONTRAST AGENTS IN DIAGNOSTIC IMAGING FOR STUDYING PHYSIOLOGICAL PARAMATERS
  申请人：Fossheim Sigrid Lise

  公开号：US20090191131A1

  公开（公告）日：2009-07-30

  The present invention relates to a method of imaging of an animate human or non-human animal body, which method comprises: administering parenterally to said body a particulate material comprising a matrix or membrane material and at least one contrast generating species, which matrix or membrane material is responsive to a pre-selected physiological parameter whereby to alter the contrast efficacy of said species in response to a change in the value of said parameter; generating image data of at least part of said body in which said species is present; and generating therefrom a signal indicative of the value or variation of said parameter in said part of said body. The invention also relates to contrast media for imaging a physiological parameter.

  本发明涉及一种成像动物或非人类动物体的方法，该方法包括：将包含基质或膜材料和至少一种对比剂的颗粒状物质经肠外给予该体，该基质或膜材料对预选生理参数具有响应性，以便在该参数值发生变化时改变该对比剂的对比效果；生成至少该体的部分中存在该对比剂的图像数据；并由此生成一个信号，指示该体部分中该参数的值或变化。本发明还涉及用于成像生理参数的对比介质。
• Chemistry and biology of vitamin B6. 31. Synthesis and physicochemical and biological properties of 6-halogen-substituted vitamin B6 analogs
  作者：W. Korytnyk、S. C. Srivastava

  DOI：10.1021/jm00264a013

  日期：1973.6
• USE OF PARTICULATE CONTRAST AGENTS IN DIAGNOSTIC IMAGING FOR STUDYING PHYSIOLOGICAL PARAMETERS
  申请人：NYCOMED IMAGING AS

  公开号：EP1069888A1

  公开（公告）日：2001-01-24
• [EN] USE OF PARTICULATE CONTRAST AGENTS IN DIAGNOSTIC IMAGING FOR STUDYING PHYSIOLOGICAL PARAMETERS<br/>[FR] UTILISATION D'AGENTS DE CONTRASTE PARTICULAIRES DANS L'IMAGERIE DIAGNOSTIQUE PERMETTANT D'ETUDIER DES PARAMETRES PHYSIOLOGIQUES
  申请人：NYCOMED IMAGING A.S.

  公开号：WO1999052505A1

  公开（公告）日：1999-10-21

  (EN) The present invention relates to a method of imaging of an animate human or non-human animal body, which method comprises: administering parenterally to said body a particulate material comprising a matrix or membrane material and at least one contrast generating species, which matrix or membrane material is responsive to a pre-selected physiological parameter whereby to alter the contrast efficacy of said species in response to a change in the value of said parameters; generating image data of at least part of said body in which said species is present; and generating therefrom a signal indicative of the value or variation of said parameter in said part of said body. The invention also relates to contrast media for imaging a physiological parameter.(FR) La présente invention concerne un procédé permettant d'imager un corps humain ou animal vivant, ce procédé consistant : à administrer de manière parentérale à ce corps une substance particulaire renfermant une matière particulaire matricielle ou membranaire, ainsi qu'au moins une espèce de contraste, la matière matricielle ou membranaire répondant à un paramètre physiologique prédéfini afin de modifier l'efficacité de contraste de ladite espèce, suite à une modification de la valeur du paramètre susmentionné ; à produire des données images d'au moins une partie du corps dans lequel l'espèce est présente ; et enfin à produire, à partir de ces données, un signal indiquant la valeur ou la modification de la valeur dudit paramètre dans cette partie du corps. L'invention concerne également des substances de contraste permettant d'imager un paramètre physiologique.