thiamine; hydrochloride | 878745-94-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: thiamine; hydrochloride
• 英文别名: Thiaminhydrobromid；2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;chloride;hydrobromide
• CAS: 878745-94-9
• 化学式: Br*C₁₂H₁₇N₄OS*ClH
• 分子量: 381.724
• InChiKey: VQCNOXNSXOFITG-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -1.97
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  104
• 氢给体数：
  3
• 氢受体数：
  6

文献信息

• RADIOISOTOPE 18F SUBSTITUTED THIAMINE, AND SYNTHESIS METHOD AND USE THEREOF
  申请人：ZHONGSHAN HOSPITAL FUDAN UNIVERSITY

  公开号：US20180237358A1

  公开（公告）日：2018-08-23

  The present invention discloses a radioisotope 18 F substituted thiamine, synthesis method, and use thereof in small animal PET/CT imaging. The radioisotope 18 F substituted thiamine has a structure of The synthesis method comprises radiochemical synthesis by using existing precursors. In the present invention, the hydroxyl in the hydroxyethyl on the thiazole cycle of thiamine is replaced by radioisotope 18 F, to prepare a PET tracer. The radioisotope 18 F substituted thiamine of the present invention successfully enters the brains of various strains of mice, and the uptake in the brains of thiamine-deficient mice is obviously greater than that in normal control. The present invention is useful in the preparation of a brain imaging tracer for clinical trials of Alzheimer's disease and tumors.

  本发明公开了一种放射性同位素18F替代硫胺素、合成方法及其在小动物PET/CT成像中的应用。放射性同位素18F替代硫胺素的结构如下：合成方法通过使用现有的前体进行放射化学合成。本发明中，硫胺素噻唑环上羟乙基中的羟基被放射性同位素18F替代，以制备PET示踪剂。本发明的放射性同位素18F替代硫胺素成功进入各种小鼠的大脑，硫胺素缺乏小鼠大脑中的摄取量明显高于正常对照组。本发明在制备用于阿尔茨海默病和肿瘤临床试验的脑成像示踪剂方面具有实用价值。
• RADIOISOTOPE FLUORINE-18 SUBSTITUTED THIAMINE, SYNTHESIS METHOD THEREFOR, AND APPLICATIONS THEREOF
  申请人：Zhongshan Hospital Fudan University

  公开号：EP3339308A1

  公开（公告）日：2018-06-27

  The present invention discloses a radioisotope 18F substituted thiamine, synthesis method, and use thereof in small animal PET/CT imaging. The radioisotope 18F substituted thiamine has a structure of The synthesis method comprises radiochemical synthesis by using existing precursors. In the present invention, the hydroxyl in the hydroxyethyl on the thiazole cycle of thiamine is replaced by radioisotope 18F, to prepare a PET tracer. The radioisotope 18F substituted thiamine of the present invention successfully enters the brains of various strains of mice, and the uptake in the brains of thiamine-deficient mice is obviously greater than that in normal control. The present invention is useful in the preparation of a brain imaging tracer for clinical trials of Alzheimer's disease and tumors.

  本发明公开了一种放射性同位素18F取代硫胺素、合成方法及其在小动物PET/CT成像中的应用。放射性同位素 18F 取代硫胺素的结构为 合成方法包括利用现有前体进行放射化学合成。在本发明中，用放射性同位素 18F 取代硫胺素噻唑环上羟乙基中的羟基，制备 PET 示踪剂。本发明的放射性同位素 18F 替代硫胺素能成功进入不同品系小鼠的大脑，硫胺素缺乏的小鼠大脑摄取量明显高于正常对照组。本发明可用于制备脑成像示踪剂，用于阿尔茨海默病和肿瘤的临床试验。
• Borehole fluid with a thiamine-based shale inhibitor
  申请人：Halliburton Energy Services, Inc.

  公开号：US11248156B2

  公开（公告）日：2022-02-15

  A subterranean product extraction composition may include a borehole fluid that may include a thiamine based shale inhibitor active to inhibit reactivity of a formation shale to a base fluid of a borehole fluid. A method of extracting a subterranean product via a borehole may include providing a borehole fluid containing a thiamine-based shale inhibitor and inhibiting reactivity of a formation shale contacted with the borehole fluid. A system for extracting a subterranean product via a borehole may include a tubular having an end in proximity to a formation shale and in fluid communication with a container dispensing a borehole fluid containing a thiamine-based shale inhibitor. The thiamine-based shale inhibitor is inert to the borehole fluid and has superior activity as compared to potassium chloride to inhibit shale reactivity. The borehole fluid may be a drilling fluid. The base fluid may be water.

  一种地下产品提取组合物可包括一种井眼流体，该井眼流体可包括一种硫胺基页岩抑制剂，该硫胺基页岩抑制剂具有抑制地层页岩与井眼流体基液反应的活性。通过井眼提取地下产品的方法可包括提供含有硫胺基页岩抑制剂的井眼流体，并抑制与井眼流体接触的地层页岩的反应性。一种通过井眼提取地下产品的系统可包括一个管状物，其一端靠近地层页岩，并与分配含有硫胺基页岩抑制剂的井眼流体的容器进行流体连通。硫胺基页岩抑制剂对井眼流体是惰性的，与氯化钾相比，硫胺基页岩抑制剂在抑制页岩反应性方面具有更高的活性。井眼流体可以是钻井液。基液可以是水。
• SCHMELZEXTRUSION VON WIRKSTOFFSALZEN
  申请人：Röhm GmbH

  公开号：EP1478344B1

  公开（公告）日：2007-05-23
• Melt extrusion of salts of active ingredients
  申请人：——

  公开号：US20040253314A1

  公开（公告）日：2004-12-16

  The invention relates to a method for producing active ingredient-containing granules or powders involving the following steps: a) melting a mixture consisting of a pharmaceutical active ingredient and of a (meth)acrylate copolymer, which is comprised of 40 to 75 wt. % of radically polymerized C1 to C4 alkyl esters of acrylic acid or of methacrylic acid and can be comprised of 25 to 60 wt. % (meth)acrylate monomers having an anionic group in the alkyl radial; b) extruding the mixture, and; c) comminuting the extrudate to form a granule or powder. The inventive method is characterized in that the active ingredient is the salt of an alkaline substance, and in that the pH value, which can be measured on the obtained powder or granule, is equal to or less than pH 7.0. The invention also relates to pharmaceutical dosage forms or precursors thereof, which can be produced using the inventive method.