3-[(4-氨基-2-甲基-5-嘧啶基)甲基]-4-甲基-5-[2-(磷酰氧基)乙基]噻唑鎓 | 10023-48-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 3-[(4-氨基-2-甲基-5-嘧啶基)甲基]-4-甲基-5-[2-(磷酰氧基)乙基]噻唑鎓
• 中文别名: 噻唑正离子,3-[(4-氨基-2-甲基-5-嘧啶基)甲基]-4-甲基-5-[2-(磷羧基氧代)乙基]-
• 英文名称: thiamine monophosphate
• 英文别名: 2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethyl dihydrogen phosphate
• CAS: 10023-48-0
• 化学式: [C12H18N4O4PS]+
• 分子量: 345.078
• InChiKey: HZSAJDVWZRBGIF-UHFFFAOYSA-O

物化性质

• 密度：
  1.61 at 20℃
• 溶解度：
  甲醇（微溶）、水（微溶）
• LogP：
  -3.1-0.39 at 20℃
• 表面张力：
  62.9mN/m at 999.6mg/L and 20℃
• 解离常数：
  0.92-6.22 at 25℃
• 物理描述：
  Solid
• 碰撞截面：
  169.7 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  22
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  151
• 氢给体数：
  3
• 氢受体数：
  8

文献信息

• INORGANIC-ORGANIC HYBRID COMPOUNDS INCLUDING ORGANIC PLATINUM-CONTAINING ANIONS, FOR USE IN MEDICINE
  申请人：Karlsruher Institut fur Technologie

  公开号：US20210292353A1

  公开（公告）日：2021-09-23

  The present invention relates to inorganic-organic hybrid compounds for use in medicine or for use as medication, consisting of an inorganic metal cation and an organic platinum-containing cytostatic anion, in particular also a cisplatin derivative.

  本发明涉及用于医学或作为药物使用的无机-有机杂化化合物，包括无机金属阳离子和含有铂的细胞静止阴离子，特别是顺铂衍生物。
• [EN] A PROCESS FOR THE PREPARATION OF A THIAMINE DERIVATIVE AND SALT THEREOF<br/>[FR] PROCÉDÉ POUR LA PRÉPARATION D'UN DÉRIVÉ DE THIAMINE ET D'UN SEL DE CELUI-CI
  申请人：ASHMI LIFE SCIENCES PRIVATE LTD

  公开号：WO2016079576A1

  公开（公告）日：2016-05-26

  A process for the preparation of a thiamine derivative and salt thereof, the process comprising the steps of: reacting thiamine chloride hydrochloride with phosphoric acid in the presence of a catalyst to produce a reaction mass of thiamine polyphosphates; isolating said thiamine derivative from said reaction mass of thiamine polyphosphates; and preparing salt of said thiamine derivative.

  一种制备硫胺素衍生物及其盐的方法，包括以下步骤：在催化剂的存在下，将硫胺素氯化氢与磷酸反应，产生硫胺素多磷酸反应物；从硫胺素多磷酸反应物中分离出该硫胺素衍生物；制备该硫胺素衍生物的盐。
• BENFOTIAMINE DERIVATIVES, METHOD FOR PREPARING THE SAME AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME
  申请人：SHANGHAI RIXIN BIOTECHNOLOGY CO., LTD.

  公开号：US20210054006A1

  公开（公告）日：2021-02-25

  The present disclosure relates to benfotiamine derivatives, a method for preparing the same and a pharmaceutical composition, as indicated below, comprising the same. In the present disclosure, when the ortho position of benzene ring is only a halogen atom or an ethoxy substitution, or the meta position is only a bromine 5 atom, a chlorine atom, a fluorine atom or a nitro substitution, or the para position is only a chlorine atom, a methoxy substitution or a nitro substitution, its compound has a significant inhibition effect on Aβ40 and Aβ42. Furthermore, when the ortho position of benzene ring is only a fluorine atom or a bromine atom substitution, the compound has an outstanding inhibition effect on Aβ40 and Aβ42.

  本公开涉及苯福酮衍生物、其制备方法和包含其的药物组合物，如下所示。在本公开中，当苯环的邻位仅为卤素原子或乙氧基取代，或间位仅为溴原子、氯原子、氟原子或硝基取代，或对位仅为氯原子、甲氧基取代或硝基取代时，其化合物对Aβ40和Aβ42具有显著的抑制作用。此外，当苯环的邻位仅为氟原子或溴原子取代时，该化合物对Aβ40和Aβ42具有卓越的抑制作用。
• Compositions and methods for producing steviol and steviol glycosides
  申请人：Brandle Jim

  公开号：US20080064063A1

  公开（公告）日：2008-03-13

  The present invention relates to nucleotide sequences encoding ent-kaurenoic acid 13-hydroxylase polypeptides and polypeptides having ent-kaurenic acid 13-hydroxylase activity. The invention also relates to methods of producing steviol and steviol glycosides.

  本发明涉及编码ent-kaurenoic酸13-羟化酶多肽和具有ent-kaurenic酸13-羟化酶活性的多肽的核苷酸序列。本发明还涉及生产甜菊糖和甜菊糖苷的方法。
• ANTI-GLYCATION AGENTS FOR PREVENTING AGE-, DIABETES-, AND SMOKING-RELATED COMPLICATIONS
  申请人：YEBOAH Faustinus

  公开号：US20080139664A1

  公开（公告）日：2008-06-12

  The invention provides new inhibitors of protein glycation, identified from compound libraries by a high throughput screening assay. The anti-glycation agents so identified are characterized by a variety of chemical structures and are useful for the prevention or treatment of age-, diabetes-, and smoking-related complications, including neuropathy, nephropathy, ocular pathologies, or the loss of mechanical properties of collagenous tissues. Among compounds identified as having the anti-glycation activity, of special interest are epinephrine and its analogs, in particular D-epinephrine and its analogs, which are particularly useful for the prevention or treatment of age-, diabetes-, and smoking-related ocular pathologies.

  该发明提供了新的蛋白质糖基化抑制剂，通过高通量筛选检测从化合物库中确定。所确定的抗糖基化剂具有各种化学结构，并可用于预防或治疗与年龄、糖尿病和吸烟相关的并发症，包括神经病变、肾病、眼部病理或胶原组织机械性能的丧失。在被确定为具有抗糖基化活性的化合物中，特别感兴趣的是肾上腺素及其类似物，特别是D-肾上腺素及其类似物，这些物质特别适用于预防或治疗与年龄、糖尿病和吸烟相关的眼部病理。