糖质酸-1,4-内酯 | 389-36-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 内酯类
• 中文名称: 糖质酸-1,4-内酯
• 中文别名: D-葡萄糖二酸1,4-内酯
• 英文名称: D-Glucaro-1,4-lacton
• 英文别名: D-saccharic acid 1,4-lactone；DSL；D-Glucaro-1,4-lactone；(2S)-2-[(2S,3R,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxyacetic acid
• CAS: 389-36-6
• 化学式: C₆H₈O₇
• 分子量: 192.125
• InChiKey: XECPAIJNBXCOBO-MMPJQOAZSA-N

物化性质

• 熔点：
  91-93 °C(lit.)
• 沸点：
  537.6±23.0 °C(Predicted)
• 密度：
  1.961±0.06 g/cm3(Predicted)
• 溶解度：
  在水中的溶解度50 mg/mL，澄清，无色至淡黄色

计算性质

• 辛醇/水分配系数(LogP)：
  -1.8
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  124
• 氢给体数：
  4
• 氢受体数：
  7

安全信息

• WGK Germany：
  3
• 海关编码：
  2932190090

反应信息

• 作为反应物：
  描述：

  糖质酸-1,4-内酯 生成 D-glucaro-1,4:6,3-dilactone
  参考文献：
  名称：

  173.葡萄糖酸内酯。第三部分 单和双内酯

  摘要：

  DOI：

  10.1039/jr9440000633
• 作为产物：
  描述：

  葡糖二酸 生成 糖质酸-1,4-内酯 、 (2S)-2-[(2S,3R,4S)-3,4-二羟基-5-氧代四氢呋喃-2-基]-2-羟基乙酸
  参考文献：
  名称：

  173.葡萄糖酸内酯。第三部分 单和双内酯

  摘要：

  DOI：

  10.1039/jr9440000633
• 作为试剂：
  描述：

  uridine 5′-diphosphoglucuronic acid 、 4-羟基黄烷酮 在 human UDP-glucuronosyltransferase 1A₁ 、 溶剂黄146 、 alamethicin I 、 magnesium chloride 、 糖质酸-1,4-内酯 作用下， 以 aq. phosphate buffer 、 乙腈 为溶剂， 生成 4'-hydroxyflavone glucuronide
  参考文献：
  名称：

  Mutual Regioselective Inhibition of Human UGT1A1-Mediated Glucuronidation of Four Flavonoids

  摘要：

  UDP-glucuronosyltransferase (UGT) 1A1-catalyzed glucuronidation is an important elimination pathway of flavonoids, mutually inhibitory interactions may occur when two or more flavonoids are coadministered. Our recent research suggested that but whether this will lead to the mutually regioselective inhibition of fore, we chose three monohydroxyflavone isomers, 3-hydroxyflavone (3HF), 7-hydroxyflavone (7HF), and 4'-hydroxyflavone (4'HF), and one trihydroxyflavone, 3,7,4'-trihydroxyflavone (3,7,4'-THF), as the model compounds to characterize the possible mutually regioselective inhibition of glucuronidation using expressed human UGT1A1. Apparent kinetic parameters [e.g., reaction velocity (V), Michaelis-Menten constant (K-m), maximum rate of metabolism (V-max), concentration at which inhibitor achieves 50% inhibition (IC50), and the Lineweaver-Burk plots were used to evaluate the apparent kinetic mechanisms of inhibition of glucuronidation. The results showed that UGT1A1-mediated glucuronidation of three monohydroxyflavones (i.e., 3HF, 7HF, and 4'HF) and 3,7,4'THF was mutually inhibitory, and the mechanisms of inhibition appeared to be the mixed typed inhibition. Specifically, the inhibitory effects displayed certain positional preference. Glucuronidation of 3HF was more easily inhibited by 3,7,4'THF than that of 7HF or 4'HF. Compared to 7-O-glucuronidation of 3,7,4,THF, 3-O-glucuronidation of 3,7,4'THF was more inhibited by 3HF and 4'HF, whereas glucuronidation at both 3-OH and 7-OH positions of 3,7,4'THF was more easily inhibited by 7HF than by 3HF and 4'HF. In conclusion, 3HF, 7HF, 4'HF, and 3,7,4'THF were both substrates and inhibitors of UGT1A1, and they exhibited mutually regioselective inhibition of UGT1A1-mediated glucuronidation via a mixed type inhibitory mechanism.

  DOI：

  10.1021/mp300599t

文献信息

• [EN] NEW CATECHOLAMINE PRODRUGS FOR USE IN THE TREATMENT OF PARKINSON'S DISEASE<br/>[FR] NOUVEAUX PROMÉDICAMENTS DE CATÉCHOLAMINE DESTINÉS À ÊTRE UTILISÉS DANS LE TRAITEMENT DE LA MALADIE DE PARKINSON
  申请人：H LUNDBECK AS

  公开号：WO2019101917A1

  公开（公告）日：2019-05-31

  The present invention provides compounds of formula (I) that are prodrugs of catecholamine for use in treatment of neurodegenerative diseases and disorders. The present invention also provides pharmaceutical compositions comprising compounds of the invention and methods of treating neurodegenerative or neuropsychiatric diseases and disorders using the compounds of the invention, in particular Parkinson's disease. Accordingly, the present invention relates to compounds of formula (Id) wherein R1 is H and R2 is selected from one of the substituents (i) and (ii) below; or R1 is selected from one of the substituents (i) and (ii) below and R2 is H; or R1 and R2 are both represented by substituent (i) below; or R1 and R2 are both represented by substituent (ii) below; or R1 is substituent (i) and R2 is substituent (ii); or R1 is substituent (ii) and R2 is substituent (i); (i) (ii) wherein * indicates the attachment point; and wherein the carbon atom at the attachment point on substituent (i) is in the S-configuration; or a pharmaceutically acceptable salt thereof.

  本发明提供了化合物(I)的中间体，用于治疗神经退行性疾病和紊乱。本发明还提供了包括本发明化合物的药物组合物，以及使用本发明化合物治疗神经退行性或神经精神疾病和紊乱的方法，特别是帕金森病。因此，本发明涉及化合物(I d)的公式，其中R1为H，R2从下面的取代基(i)和(ii)中选择一个；或R1从下面的取代基(i)和(ii)中选择一个，R2为H；或R1和R2都由下面的取代基(i)表示；或R1和R2都由下面的取代基(ii)表示；或R1为取代基(i)，R2为取代基(ii)；或R1为取代基(ii)，R2为取代基(i)；(i) (ii) 其中*表示连接点；取代基(i)上连接点的碳原子处于S构型；或其药用可接受盐。
• A Heterogeneous Pt-ReO_<i>x</i>/C Catalyst for Making Renewable Adipates in One Step from Sugar Acids
  作者：Jun Hee Jang、Insoo Ro、Phillip Christopher、Mahdi M. Abu-Omar

  DOI：10.1021/acscatal.0c04158

  日期：2021.1.1

  Renewable adipic acid is a value-added chemical for the production of bioderived nylon. Here, the one-step conversion of mucic acid to adipates was achieved in high yield through deoxydehydration (DODH) and catalytic transfer hydrogenation (CTH) by a bifunctional Pt-ReOx/C heterogeneous catalyst with isopropanol as solvent and reductant. The Pt-ReOx/C catalyst is reusable and was regenerated at least

  可再生的己二酸是生产生物衍生尼龙的增值化学品。在此，通过使用异丙醇作为溶剂和还原剂的双功能Pt-ReO x / C非均相催化剂，通过脱氧脱水（DODH）和催化转移氢化（CTH），高产率地将粘液酸一步转化为己二酸酯。Pt-ReO x / C催化剂可重复使用，并且至少再生了五次。该催化剂表现出各种二醇的广泛的底物范围。Pt-ReO x / C的光谱研究显示Re VII和Pt 0作为DODH和CTH的相关物种。同位素标记实验支持CTH超过Pt的一价氢机制。这项工作证明了一种可重复使用的双功能催化剂，可用于将糖酸一步增值成实际单体，这为简化多功能化催化生物质衍生分子的增值提供了方便。
• [EN] NOVEL 5-AMINO-2-THIOIMIDAZOLE COMPOUNDS AND THEIR USE<br/>[FR] NOUVEAUX COMPOSÉS 5-AMINO-2-THIO-IMIDAZOLES ET LEUR UTILISATION
  申请人：UNIV LILLE II DROIT & SANTE

  公开号：WO2017042380A1

  公开（公告）日：2017-03-16

  The present invention is directed to novel compounds of formula (I) pharmaceutically acceptable salts or solvates thereof, and their use.

  本发明涉及公式(I)的新化合物，其药用盐或溶剂，以及它们的用途。
• Hydroxypolyamide Gel Forming Agents
  申请人：Kiely Donald E.

  公开号：US20090131259A1

  公开（公告）日：2009-05-21

  Hydroxypolyamides, hydroxypolyamide products, and post-hydroxypolyamides are disclosed as gel forming agents. Hydroxypolyamides and post-hydroxypolyamides are prepared from known methods. Hydroxypolyamide products are produced from a modified polymerization procedure which utilizes strong base for deprotonation of ammonium salts from the esterification of stoichiometrically equivalent polyacid:polyamine salts. The hydroxypolyamide products are capable of gel formation at lower concentrations than hydroxypolyamides and post-hydroxypolyamides from the known methods of preparation, and are therefore superior gel forming agents.

  氢氧基聚酰胺、氢氧基聚酰胺产品和后处理氢氧基聚酰胺被披露为凝胶形成剂。氢氧基聚酰胺和后处理氢氧基聚酰胺是从已知方法制备的。氢氧基聚酰胺产品是通过改进的聚合程序生产的，该程序利用强碱去质子化酯化的化学计量等量聚酸：聚胺盐。这些氢氧基聚酰胺产品能够在比已知制备方法中的氢氧基聚酰胺和后处理氢氧基聚酰胺更低的浓度下形成凝胶，因此是优越的凝胶形成剂。
• Methods for treating of skin conditions with retinoid double conjugate compounds
  申请人：US COSMECEUTECHS LLC

  公开号：US10123960B2

  公开（公告）日：2018-11-13

  A double conjugate molecule made of a retinoid, an organic acid, particularly an a-hydroxy acid, and an alcohol or acyl group, is provided which is useful in treating skin conditions, particularly aging. The retinoid, organic acid, and alcohol/acyl group are preferably linked via ester bonds.

  提供一种由视黄醇、有机酸（特别是α-羟基酸）和醇或酰基组成的双共轭分子，可用于治疗皮肤状况，特别是衰老。视黄醇、有机酸和醇/酰基组最好通过酯键连接。