(3,4,5-三羟基-6-氧代四氢吡喃-2-基)甲基磷酸二氢酯 | 2641-81-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: (3,4,5-三羟基-6-氧代四氢吡喃-2-基)甲基磷酸二氢酯
• 英文名称: 6-phosphogluconolactone
• 英文别名: D-Glucono-1,5-lactone 6-phosphate；[(2R,3S,4S,5R)-3,4,5-trihydroxy-6-oxooxan-2-yl]methyl dihydrogen phosphate
• CAS: 2641-81-8
• 化学式: C₆H₁₁O₉P
• 分子量: 258.122
• InChiKey: IJOJIVNDFQSGAB-SQOUGZDYSA-N

物化性质

• 沸点：
  599.1±60.0 °C(Predicted)
• 密度：
  1.962±0.06 g/cm3(Predicted)
• 溶解度：
  甲醇（微溶）、水（微溶）
• 物理描述：
  Solid

计算性质

• 辛醇/水分配系数(LogP)：
  -3.7
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  154
• 氢给体数：
  5
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  (3,4,5-三羟基-6-氧代四氢吡喃-2-基)甲基磷酸二氢酯 在 UDP-glucose dehydrogenase 、 phospholipid exchange protein-protein phosphotransferase 、 水 作用下， 生成 葡糖二酸
  参考文献：
  名称：

  Genome-wide Screening Reveals the Genetic Determinants of an Antibiotic Insecticide in Bacillus thuringiensis

  摘要：

  Thuringiensin is a thermostable secondary metabolite in Bacillus thuringiensis and has insecticidal activity against a wide range of insects. Until now, the regulatory mechanisms and genetic determinants involved in thuringiensin production have remained unclear. Here, we successfully used heterologous expression-guided screening in an Escherichia coli-Bacillus thuringiensis shuttle bacterial artificial chromosome library, to clone the intact thuringiensin synthesis (thu) cluster. Then the thu cluster was located on a 110-kb endogenous plasmid bearing insecticide crystal protein gene cry1Ba in strain CT-43. Furthermore, the plasmid, named pBMB0558, was indirectly cloned and sequenced. The gene functions on pBMB0558 were annotated by BLAST based on the GenBank (TM) and KEGG databases. The genes on pBMB0558 could be classified into three functional modules: a thuringiensin synthesis cluster, a type IV secretion system-like module, and mobile genetic elements. By HPLC coupling mass spectrometer, atmospheric pressure ionization with ion trap, and TOF technologies, biosynthetic intermediates of thuringiensin were detected. The thuE gene is proved to be responsible for the phosphorylation of thuringiensin at the last step by vivo and vitro activity assays. The thuringiensin biosynthesis pathway was deduced and clarified. We propose that thuringiensin is an adenine nucleoside oligosaccharide rather than an adenine nucleotide analog, as is traditionally believed, based on the predicted functions of the key enzymes, glycosyltransferase (ThuF) and exopolysaccharide polymerization protein (Thu1).

  DOI：

  10.1074/jbc.m110.148387
• 作为产物：
  描述：

  麦芽糖 在 sodium dihydrogenphosphate 、 maltose phosphorylase 、 β-phosphoglucomutase 、 EoMP₄₀₃₈ 、 glucose-6-phospate dehydrogenase 、 还原型辅酶II(NADPH)四钠盐 、 magnesium chloride 作用下， 以 aq. buffer 为溶剂， 生成 (3,4,5-三羟基-6-氧代四氢吡喃-2-基)甲基磷酸二氢酯
  参考文献：
  名称：

  新型寡糖麦芽糖麦芽糖磷酸化酶催化的吲哚糖苷酶促糖基化反应

  摘要：

  麦芽糖磷酸化酶（EC 2.4.1.8）在无机磷酸盐存在下催化麦芽糖可逆转化为葡萄糖和葡萄糖-1-磷酸。在本文中，我们首次描述了麦芽糖磷酸化酶在合成各种端基修饰的二糖苷中的用途。所用的麦芽糖磷酸化酶是从寡糖Emticicia oligotrophica细菌中分离出来的，显示出对麦芽糖进行磷酸化的高选择性，而使用其他含葡萄糖的二糖（如纤维二糖，蜜二糖，蔗糖和海藻糖）则未观察到磷酸化。将葡萄糖添加到各种5-溴-4-氯-3-吲哚基-糖苷（X糖）中，以评估麦芽糖磷酸化酶的混杂性，并通过LC-ESI-MS和MALDI-TOF验证了产物的形成-小姐。

  DOI：

  10.1080/07328303.2016.1238479

文献信息

• PYRAZOLE COMPOUNDS AND USE THEREOF
  申请人：Takagi Masaki

  公开号：US20090036450A1

  公开（公告）日：2009-02-05

  The pyrazole compound of the present invention is represented by the following general formula (I). The pyrazole compound of the present invention or a salt thereof or a solvate thereof potently inhibits liver glycogen phosphorylase, and, therefore, is useful as a therapeutic or prophylactic agent for diabetes. wherein each symbol denotes as described in the specifications.

  本发明的吡唑化合物由以下一般式（I）表示。本发明的吡唑化合物或其盐或溶剂化物强力抑制肝糖原磷酸化酶，因此，可用作糖尿病的治疗或预防剂。其中，每个符号如规范中所述。
• Therapeutic Monosaccharide-Based Inhibitors of Hexokinase and Glucokinase for Parasitic Diseases, Along with Methods of their Formation and Use
  申请人：University of South Carolina

  公开号：US20160145291A1

  公开（公告）日：2016-05-26

  Methods for treating a mammal that is infected by a parasitic organism are provided, along with pharmaceutical compositions and compounds. The method includes administering to the mammal the pharmaceutical composition of FIG. 1, where: R 1 , R 2 , R 3 , and R 4 comprises, independently, H, OH, NH 2 , SH, a halogen, or an organic group or a derivative thereof; X 1 is O, NH, CH 2 , or S; m is 0 or 1; X 2 comprises an organic linkage, such as CH 2 ; n is an integer from 0 to 10; and R 5 comprises an aromatic organic group.

  提供了一种治疗被寄生生物感染的人畜的方法，以及药物组合物和化合物。该方法包括向人畜投给FIG.1的药物组合物，其中：R1、R2、R3和R4独立地包括H、OH、NH2、SH、卤素或有机组分的衍生物；X1为O、NH、CH2或S；m为0或1；X2包括如 的有机键；n为0到10的整数；R5包括芳香族有机组分。
• [EN] VORICONAZOLE IMMUNOASSAYS<br/>[FR] IMMUNODOSAGES DE VIROCONAZOLE
  申请人：ARK DIAGNOSTICS INC

  公开号：WO2014113717A1

  公开（公告）日：2014-07-24

  Methods, compositions and kits are disclosed directed at voriconazole derivatives, immunogens, signal generating moieties, antibodies that bind voriconazole and immunoassays for detection of voriconazole. Voriconazole is a second-generation triazole antifungal agent. Voriconazole is a broad-spectrum triazole antifungal used for the treatment of invasive fungal infections. Voriconazole is designated chemically as (2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoro-4-pyrimidinyl)-1-(1 H-1,2,4-triazol-1 -yl)-2-butanol with an empirical formula of C16H14F3N50 and a molecular weight of 349.3, and has the following chemical structure.

  揭示了针对伏立康唑衍生物、免疫原、信号产生基团、结合伏立康唑的抗体以及用于检测伏立康唑的免疫测定的方法、组合物和试剂盒。伏立康唑是第二代三唑类抗真菌药物。伏立康唑是一种广谱三唑类抗真菌药物，用于治疗侵袭性真菌感染。伏立康唑在化学上被指定为(2R,3S)-2-(2,4-二氟苯基)-3-(5-氟-4-嘧啶基)-1-(1 H-1,2,4-三唑-1-基)-2-丁醇，其经验式为C16H14F3N50，分子量为349.3，化学结构如下。
• [EN] INHIBITORS OF GLUCOSE-6-PHOSPHATE DEHYDROGENASE AND USES THEREOF<br/>[FR] INHIBITEURS DE GLUCOSE-6-PHOSPHATE DÉSHYDROGÉNASE ET LEURS UTILISATIONS
  申请人：UNIV PRINCETON

  公开号：WO2021146543A1

  公开（公告）日：2021-07-22

  Provided herein are compounds having the following structural formula, wherein values for the variables are as described herein. Also provided are pharmaceutical compositions of the compounds, as well as methods of using the compounds to inhibit the oxidative pentose phosphate pathway, e.g, to treat cancer, malaria, an autoimmune disease, an inflammatory condition or asthma.

  本文提供具有以下结构式的化合物，其中变量的值如本文所述。还提供了这些化合物的药物组合物，以及使用这些化合物抑制氧化戊糖磷酸途径的方法，例如治疗癌症、疟疾、自身免疫疾病、炎症症状或哮喘。
• carba Nicotinamide Adenine Dinucleotide Phosphate: Robust Cofactor for Redox Biocatalysis
  作者：Ioannis Zachos、Manuel Döring、Georg Tafertshofer、Robert C. Simon、Volker Sieber

  DOI：10.1002/anie.202017027

  日期：2021.6.21

  Here we report a new robust nicotinamide dinucleotide phosphate cofactor analog (carba-NADP+) and its acceptance by many enzymes in the class of oxidoreductases. Replacing one ribose oxygen with a methylene group of the natural NADP+ was found to enhance stability dramatically. Decomposition experiments at moderate and high temperatures with the cofactors showed a drastic increase in half-life time

  在这里，我们报告了一种新的强大的烟酰胺二核苷酸磷酸辅因子类似物（carba-NADP +）及其被氧化还原酶类中的许多酶所接受。研究发现，用天然 NADP +的亚甲基取代一个核糖氧可显着增强稳定性。使用辅因子在中温和高温下进行的分解实验表明，高温下的半衰期急剧增加，因为它显着不利于吡啶鎓-N-糖苷键的水解。总体而言，成功测试了超过 27 种不同的氧化还原酶，并给出了全面的分析表征和比较。辅因子 carba-NADP +开辟了恶劣条件下氧化还原生物催化领域。