磷酸二氢2-甲基-1,1-二羟基-3-(吡啶-2-基氨基甲酰)-2H-1,2-苯并噻嗪-4-酯 | 27696-12-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 中文名称: 磷酸二氢2-甲基-1,1-二羟基-3-(吡啶-2-基氨基甲酰)-2H-1,2-苯并噻嗪-4-酯
• 英文名称: coenzyme Q10
• 英文别名: ubiquinone；ubiquinone-10；CoQ10；Ubichinon-10；Ubisemiquinone；2-(3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl)-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione
• CAS: 27696-12-4
• 化学式: C₅₉H₉₀O₄
• 分子量: 863.361
• InChiKey: ACTIUHUUMQJHFO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  19.4
• 重原子数：
  63
• 可旋转键数：
  31
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

上下游信息

• 上游原料

  中文名称	英文名称	CAS号	化学式	分子量
  2,3-二甲氧基-5-甲基-1,4-苯醌	2,3-Dimethoxy-5-methyl-1,4-benzoquinone	605-94-7	C9H10O4	182.176

反应信息

• 作为反应物：
  描述：

  磷酸二氢2-甲基-1,1-二羟基-3-(吡啶-2-基氨基甲酰)-2H-1,2-苯并噻嗪-4-酯 在 sodium tetrahydroborate 、 异丙醚 作用下， 以 甲醇 为溶剂， 反应 0.05h， 生成 1-ubiquinol
  参考文献：
  名称：

  Novel Cationic Prodrug of Ubiquinol-10 Enhances Intestinal Absorption via Efficient Formation of Nanosized Mixed-Micelles with Bile Acid Anions

  摘要：

  这项研究的目的是开发泛醌醇-10（UqH-10）的前药，它是泛醌酮-10（Uq-10）的活性形式，用于口服给药。UqH-10的生物利用度受到其易氧化和水不溶性的影响。我们制备了三种新型的N，N-二甲基甘氨酸酯衍生物，包括1-单酯（UqH-1-DMG）、4-单酯（UqH-4-DMG）和1,4-双酯（UqH-DMG），并在体外和体内评估了它们的理化性质。UqH-DMG在36.5°C时自发形成了一个包含20纳米颗粒的水性胶束溶液。阳离子UqH-DMG与牛磺胆酸形成了5纳米的混合胶束。在人类肝微粒体中，衍生物重新转化为UqH-10的速度加快。给予UqH-衍生物或Uq-10后，在禁食和饮食后的正常和高胆汁水平大鼠体内测定了UqH-10的口服生物利用度。在禁食大鼠中，给予UqH-衍生物后血浆中的UqH-10在2-3小时达到Cmax，而给予Uq-10后，其保持较低。给予UqH-衍生物后的UqH-10的AUC0-24h比给予Uq-10后高2-3倍。在饮食后的大鼠中，给予UqH-衍生物后的UqH-10的Tmax比给予Uq-10后提前一个小时。总之，阳离子UqH-衍生物是方便的前药，通过与肠道胆汁酸形成纳米级混合胶束来增强UqH-10的生物利用度。

  DOI：

  10.3390/molecules25030546
• 作为产物：
  描述：

  2,3-二甲氧基-5-甲基-1,4-苯醌 、 decaprenol 在 二氢吡啶 、 scandium trifluoromethanesulfonate 作用下， 以 二氯甲烷 为溶剂， 以95 %的产率得到磷酸二氢2-甲基-1,1-二羟基-3-(吡啶-2-基氨基甲酰)-2H-1,2-苯并噻嗪-4-酯
  参考文献：
  名称：

  CN116621683

  摘要：

  公开号：

文献信息

• DERMATOLOGICAL AGENT
  申请人：Takata Jiro

  公开号：US20110144376A1

  公开（公告）日：2011-06-16

  An object of the present invention is to provide dermatological agents such as whitening agents and hair growth accelerators that contain a compound having high water solubility and a specific structure capable of releasing 2,3-dimethoxy-5-methyl-1,4-dihydroxybenzene (reduced form). A dermatological agent according to the present invention contains a 2,3-dimethoxy-5-methyl-1,4-dihydroxybenzenecarboxylic acid ester derivative represented by the following general Formula (I) or a salt thereof: wherein in the Formula (I), R 1 , R 2 and R 3 are specific groups.

  本发明的目的是提供皮肤学制剂，例如美白剂和促进毛发生长的剂，其包含具有高水溶性和特定结构的化合物，能够释放2,3-二甲氧基-5-甲基-1,4-二羟基苯（还原形式）。根据本发明的皮肤学制剂包含下述一般式（I）所表示的2,3-二甲氧基-5-甲基-1,4-二羟基苯甲酸酯衍生物或其盐：其中在式（I）中，R1，R2和R3是特定的基团。
• Antiaging composition
  申请人：Fujii Kenji

  公开号：US20050154066A1

  公开（公告）日：2005-07-14

  The object of the present invention is to provide a composition which is effective in retarding or preventing the development of energy decrease, appearance change, etc. of humans and animals due to aging, and is highly safe even with a long period of taking. The present invention relates to an antiaging composition which comprises reduced coenzyme Q as an active ingredient. By feeding mice which develop the aging symptom early (aging-accelerated model mice) with a feed containing reduced coenzyme Q 10 for a long period of time, aging process was prevented and retarded. Furthermore, aging-accelerated model mice fed with reduced coenzyme Q 10 for a long period of time showed no toxic symptom, thus it was found that the antiaging composition comprising a composition containing said substance can be made into a safe antiaging composition capable of being taken for a long period of time.

  本发明的目的是提供一种组成物，该组成物能够有效地延缓或预防因衰老而导致的人类和动物的能量减少、外观变化等，并且即使长期服用也非常安全。本发明涉及一种抗衰老组成物，其包含还原型辅酶Q作为活性成分。通过长期喂养早期出现衰老症状的小鼠（衰老加速模型小鼠）含有还原型辅酶Q10的饲料，可以预防和延缓衰老过程。此外，长期喂养还原型辅酶Q10的衰老加速模型小鼠没有显示出有毒症状，因此发现包含该物质的组成物可以制成一种安全的抗衰老组成物，可长期服用。
• Mammalian neural plate border stem cells capable of forming neural tube and neural crest cell lineages including central and peripheral neurons
  申请人：Max-Planck-Gesellschaft zur Förderung der Wissenschaften E.V.

  公开号：US10711244B2

  公开（公告）日：2020-07-14

  The present invention relates to a method for producing mammalian neural plate border stem cells (NPBSCs), comprising: (a) differentiation of mammalian pluripotent stem cells by (a-i) culturing mammalian pluripotent stem cells in pluripotent stem cell medium for about 24 to about 96 hours, wherein the pluripotent stem cell medium comprises: (i) an inhibitor of the activin/TGF-β signalling pathway; (ii) an inhibitor of the BMP signalling pathway; (iii) an activator of the canonical WNT signalling pathway; and (iv) an activator of the Hedgehog signalling pathway; subsequently (a-ii) culturing the cells obtained in step (a-i) for about 24 to about 96 hours in a neural medium, wherein the neural medium comprises: (i) an inhibitor of the Activin/TGF-β signalling pathway; (ii) an inhibitor of the BMP signalling pathway; (iii) an activator of the canonical WNT signalling pathway; and (iv) an activator of the Hedgehog signalling pathway; subsequently (a-iii) culturing the cells obtained in step (a-ii) for about 24 to about 96 hours in a neural medium, wherein the neural medium comprises: (i) an activator of the canonical WNT signalling pathway; (ii) an activator of the Hedgehog signalling pathway; and (iii) an inhibitor of oxidation; and (b) plating the obtained differentiated mammalian pluripotent stem cells in NPBSCs expansion medium, wherein the NPBSCs expansion medium comprises (i) an activator of the canonical WNT signalling pathway; (ii) an activator of the Hedgehog signalling pathway; and (iii) an inhibitor of oxidation; and expanding the cells in the NPBSCs expansion medium for about 24 to about 96 hours; (c) splitting the cells obtained in (b) and further expanding the cells in the NPBSCs expansion medium; and (d) repeating step (c) at least two times. The present invention further relates to neural plate border stem cells obtainable by the method of the invention and the use of the cells of the invention in medicine.

  本发明涉及一种生产哺乳动物神经板边缘干细胞（NPBSCs）的方法，包括：(a)哺乳动物多能干细胞的分化，方法是(a-i)将哺乳动物多能干细胞在多能干细胞培养基中培养约24至约96小时，其中多能干细胞培养基包括：(i)激活素/TGF-β信号通路的抑制剂；(ii)BMP信号通路的抑制剂；(iii)典型WNT信号通路的激活剂：(i)活化素/TGF-β信号通路的抑制剂；(ii)BMP信号通路的抑制剂；(iii)典型WNT信号通路的激活剂；以及(iv)刺猬信号通路的激活剂；随后(a-ii)将步骤(a-i)中获得的细胞在神经培养基中培养约24至约96小时，其中神经培养基包括：(i)Activin/TGF-β信号通路的抑制剂；(ii)BMP信号通路的抑制剂；(iii)典型WNT信号通路的激活剂；和(iv)刺猬信号通路的激活剂；随后(a-iii)将步骤(a-ii)中获得的细胞在神经培养基中培养约24至约96小时，其中神经培养基包括：(i)典型 WNT 信号通路的激活剂；(ii)刺猬信号通路的激活剂；和(iii)氧化抑制剂；和(b)将获得的分化哺乳动物多能干细胞在 NPBSCs 扩增培养基中培养，其中 NPBSCs 扩增培养基包括：(i)典型 WNT 信号通路的激活剂；(ii) Hedgehog 信号通路的激活剂；和 (iii) 氧化抑制剂；并将细胞在 NPBSCs 扩增培养基中扩增约 24 至约 96 小时； (c) 分裂(b)中获得的细胞并进一步将细胞在 NPBSCs 扩增培养基中扩增；和 (d) 重复步骤(c)至少两次。本发明进一步涉及通过本发明方法获得的神经板边缘干细胞以及本发明细胞在医学中的应用。
• Methods of treating a neurodegenerative disease in a mammal in need thereof
  申请人：Thomas Jefferson University

  公开号：US11369596B2

  公开（公告）日：2022-06-28

  The present invention provides a method of treating or ameliorating a neurodegenerative disease in a mammal, the method comprising administering to the mammal a therapeutically effective amount of a neurodegenerative disease drug, wherein the drug is a substrate of an ABC transporter inhibitor, wherein the mammal is further administered a therapeutically effective amount of an ABC transporter inhibitor, whereby the neurodegenerative disease is treated in the mammal. In certain embodiments, the neurodegenerative disease comprises at least one selected from the group consisting of spinal cord injury, Alzheimer's disease, Parkinson's disease, Huntington's disease, prion disease, amyotrophic lateral sclerosis, a tauopathy, and chronic traumatic encephalopathy.

  本发明提供了一种治疗或改善哺乳动物神经退行性疾病的方法，该方法包括向哺乳动物施用治疗有效量的神经退行性疾病药物，其中该药物是ABC转运体抑制剂的底物，进一步向哺乳动物施用治疗有效量的ABC转运体抑制剂，从而治疗哺乳动物的神经退行性疾病。在某些实施方案中，神经退行性疾病包括至少一种选自脊髓损伤、阿尔茨海默病、帕金森病、亨廷顿病、朊病毒病、肌萎缩侧索硬化症、陶氏病和慢性创伤性脑病的疾病。
• Method of Producing Reduced Coenzyme Q10
  申请人：Ren Lei

  公开号：US20110124062A1

  公开（公告）日：2011-05-26

  The present invention relates to a method of producing high-quality reduced coenzyme Q 10 converted from oxidized coenzyme Q 10 by natural reductase. It is stable, completely natural and can be used on injection. This method is suitable for large-scale industrial production without special protective environment/atmosphere. The method of producing reduced coenzyme Q 10 includes three stages: circumflex over (1)} phosphorylation of oxidized coenzyme Q 10 circumflex over (2)} reduction of phosphorylated oxidized coenzyme Q Q 10 by biological reductase circumflex over (3)} extracting reduced coenzyme Q 10 from reductases.