D-psicopyranose | 18464-17-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: D-psicopyranose
• 英文别名: psicopyranose；D-allulose；D-psicose；D-sor；Fructopyranose；(3R,4R,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol
• CAS: 18464-17-0
• 化学式: C₆H₁₂O₆
• 分子量: 180.158
• InChiKey: LKDRXBCSQODPBY-JDJSBBGDSA-N

物化性质

• 沸点：
  401.1±45.0 °C(Predicted)
• 密度：
  1.758±0.06 g/cm3(Predicted)
• 碰撞截面：
  137.6 Ų [M+Na]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]

计算性质

• 辛醇/水分配系数(LogP)：
  -2.8
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  110
• 氢给体数：
  5
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  D-psicopyranose 在 wild-type L-Rhamnose isomerase from Caldicellulosiruptor obsidiansis OB₄₇ 作用下， 以 aq. buffer 为溶剂， 生成 D-allose
  参考文献：
  名称：

  Improving Thermostability and Catalytic Behavior of l-Rhamnose Isomerase from Caldicellulosiruptor obsidiansis OB47 toward d-Allulose by Site-Directed Mutagenesis

  摘要：

  D-Allose, a rare sugar, is an ideal table-sugar substitute and has many advantageous physiological functions. L-Rhamnose isomerase (L-RI) is an important D-allose-producing enzyme, but it exhibits comparatively low catalytic activity on D-allulose. In this study, an array of hydrophobic residues located within beta 1-alpha 1-loop were solely or collectively replaced with polar amino acids by site-directed mutagenesis. A group of mutants was designed to weaken the hydrophobic environment and strengthen the catalytic behavior on D-allulose. Compared with that of the wild-type enzyme, the relative activities of the V48N/G59N/I63N and V48N/G59N/I63N/F335S mutants toward D-allulose were increased by 105.6 and 134.1%, respectively. Another group of mutants was designed to enhance thermostability. Finally, the t(1/2) values of mutant S81A were increased by 7.7 and 1.1 h at 70 and 80 degrees C, respectively. These results revealed that site-directed mutagenesis is efficient for improving thermostability and catalytic behavior toward D-allulose.

  DOI：

  10.1021/acs.jafc.8b05107
• 作为产物：
  描述：

  D-fructose 在 Sinorhizobium sp. D-tagatose 3-epimerase 作用下， 以 水 为溶剂， 生成 D-psicopyranose
  参考文献：
  名称：

  Biochemical characterization and biocatalytic application of a novel d-tagatose 3-epimerase from Sinorhizobium sp.

  摘要：

  Sinorhizobium sp. d-tagatose 3-epimerase (sDTE) 催化将 d-tagatose 转化为 d-sorbose。

  DOI：

  10.1039/c8ra10029b
• 作为试剂：
  描述：

  6-fluoro-2-nitrophenylacetonotrile 、 水合甲醇 在 ice water 、 氢溴酸 、 四氢呋喃 、 水 、 盐酸 、 乙酸乙酯 、 碳酸氢钠 、 Brine 、 Sodium sulfate-III 、 material 、 溶剂黄146 、 D-psicopyranose 、 钯 、 甲醇 、 sodium hydroxide 、 crude residue 、 乙醚 作用下， 反应 4.5h， 以to yield 5.8 g (first crop) of pure 1,3-dihydro4-fluoro-2H-indol-2-one的产率得到4-氟-2-吲哚酮
  参考文献：
  名称：

  4,5-pyrazinoxindoles

  摘要：

  本发明涉及一种新颖的具有以下式的4,5-吡嗪并吲哚化合物，这些化合物抑制或调节蛋白激酶，特别是JNK蛋白激酶。这些化合物及其药学上可接受的盐和前药是作为抗炎剂的有用药物，特别适用于治疗类风湿性关节炎。此外，本发明还涉及含有这些化合物的制药组合物，以及使用这些化合物治疗和/或控制炎症的方法，特别是用于治疗或控制类风湿性关节炎。

  公开号：

  US06221867B1

文献信息

• Isomerization of d-glucose by disodium pentasilicate (Na2Si5O11.xCH3OH.yH2O) in methanol-water solutions
  作者：Hisatoshi Asaoka

  DOI：10.1016/0008-6215(85)85152-1

  日期：1985.3

  Abstract Disodium pentasilicate (Na 2 Si 5 O 11 . x CH 3 OH. y H 2 O, DPS), prepared from sodium metasilicate, was found effective for the isomerization of d -glucose in methanol-water. The isomerization was accelerated markedly as a function of methanol concentration; in 80% (v/v) methanol, the production of d -fructose was 1.7 times that in water alone. A 67.7% conversion of d -glucose into d -fructose

  摘要发现由偏硅酸钠制备的五硅酸二钠（Na 2 Si 5 O 11。x CH 3 OH。y H 2 O，DPS）对d-葡萄糖在甲醇-水中的异构化有效。异构化随着甲醇浓度的增加而显着加快。在80％（v / v）甲醇中，d-果糖的产量是仅在水中的1.7倍。通过在40°下操作18小时的分批反应实现了67.7％的d-葡萄糖到d-果糖的转化。d-葡萄糖在异构化反应中的消失遵循二级动力学，正向反应的活化能为129 kJ.mol -1。
• Novel compounds and compositions as cathepsin inhibitors
  申请人：Graupe Michael

  公开号：US20060089357A1

  公开（公告）日：2006-04-27

  The present invention relates to novel cathepsin S inhibitors, the pharmaceutically acceptable salts and N-oxides thereof, their uses as therapeutic agents and the methods of their making.

  本发明涉及新型的cathepsin S抑制剂，其药学上可接受的盐和N-氧化物，它们作为治疗剂的用途以及它们的制备方法。
• Thrombin inhibitors
  申请人：——

  公开号：US20040073025A1

  公开（公告）日：2004-04-15

  Compounds of the invention are useful in inhibiting thrombin and associated thrombotic occlusions having the following structure Formula (I): wherein u is CH or N; Q is 1)—N(R 25 )CH(R 30 )—wherein the nitrogen atom is attached to R 1 , and R 25 and R 30 are independently selected from the group consisting of hydrogen, C 3-6 cycloalkyl, and C 1-6 alkyl, or 2) wherein the nitrogen atom is attached to R 1 , and m is 0, 1, or 2. 1

  本发明的化合物在抑制凝血酶和相关的血栓闭塞方面具有有用的结构式（I），其中u为CH或N；Q为1）-N（R25）CH（R30）-，其中氮原子连接到R1，且R25和R30分别选自氢，C3-6环烷基和C1-6烷基的群组，或2）其中氮原子连接到R1，且m为0，1或2.1。
• Process of preparing 2-hydroxymethyl-3,5-dimethyl-4-methoxypyridine
  申请人：Development Center for Biotechnology

  公开号：US05616713A1

  公开（公告）日：1997-04-01

  A process of preparing 2-hydroxymethyl-3,5-dimethyl-4-methoxypyridine including the steps of acylating 2-methyl-1-penten-1-alkoxy-3-one to obtain 2-alkoxycarbonyl-3,5-dimethyl-4-pyrone; ammonolyzing 2-alkoxycarbonyl-3,5-dimethyl-4-pyrone to obtain 2-alkoxycarbonyl-3,5-dimethyl-4(1H)-pyridone; halogenating 2-alkoxycarbonyl-3,5-dimethyl-4(1H)-pyridone to obtain 2-alkoxycarbonyl-4-halo-3,5-dimethylpyridine; methoxylating 2-alkoxycarbonyl-4-halo-3,5-dimethylpyridine to obtain 2-methoxycarbonyl-3,5-dimethyl-4-methoxypyridine; and reducing 2-methoxycarbonyl-3,5-dimethyl-4-methoxypyridine to obtain 2-hydroxymethyl-3,5-dimethyl-4-methoxypyridine.

  制备2-羟甲基-3,5-二甲基-4-甲氧基吡啶的过程包括以下步骤：酰化2-甲基-1-戊烯-1-烷氧基-3-酮以获得2-烷氧羰基-3,5-二甲基-4-吡喃酮；氨解2-烷氧羰基-3,5-二甲基-4-吡喃酮以获得2-烷氧羰基-3,5-二甲基-4(1H)-吡啶酮；卤代2-烷氧羰基-3,5-二甲基-4(1H)-吡啶酮以获得2-烷氧羰基-4-卤代-3,5-二甲基吡啶；甲氧化2-烷氧羰基-4-卤代-3,5-二甲基吡啶以获得2-甲氧羰基-3,5-二甲基-4-甲氧基吡啶；还原2-甲氧羰基-3,5-二甲基-4-甲氧基吡啶以获得2-羟甲基-3,5-二甲基-4-甲氧基吡啶。
• Pentadieneamide compounds which have useful activity of treating a
  申请人：Hoffmann-La Roche Inc.

  公开号：US04975438A1

  公开（公告）日：1990-12-04

  Compounds of the formula ##STR1## Y is O or S, *A is paraphenylene or *--(CH.sub.2).sub.n --(X).sub.m --(CH.sub.2).sub.r --, X is O, S or --CH.dbd.CH--, n or r, independently, are integers from 0 to 3, s is an integer from 0 to 1, m is an integer from 0 to 1, provided that when m is 1, n+s must be at least 2, R.sub.1 and R.sub.2, independently, are hydrogen, lower alkyl, cycloalkyl, lower alkenyl, Het, Aryl, R.sub.3, R.sub.4 and R.sub.8, independently, are hydrogen, lower alkyl, aryl, R.sub.5 and R.sub.6, independently, are hydrogen or lower alkyl, R.sub.7 is hydrogen, lower alkyl, cycloalkyl, Het-lower alkyl or aryl, Het is a monocyclic 5- or 6-membered hetero aromatic or a bicyclic heteroaromatic radical containing one or two hetero atoms selected from nitrogen, oxygen and sulfur, which radical may be substituted by lower alkyl, halogen or aryl, and the asterisk denotes the point of attachment, and when R.sub.6 and R.sub.7 are different, their enantiomers and racemic mixtures thereof, when R.sub.1 and R.sub.2 are different, their geometric isomers, and pharmaceutically acceptable acid addition salts thereof, are described. The compounds of formula I exhibit activity as platelet activating factor (PAF) antagonists and are, therefore, useful in disease states characterized by excess platelet activating factor or for the prevention and treatment of cardiovascular diseases, pulmonary diseases, immunological disorders, inflammatory diseases, dermatological disorders, shock or transplant rejection.

  式为##STR1##的化合物，其中Y是O或S，*A是对苯基或*--(CH.sub.2).sub.n --(X).sub.m --(CH.sub.2).sub.r --，X是O，S或--CH.dbd.CH--，n或r分别是独立的0至3的整数，s是0至1的整数，m是0至1的整数，但当m为1时，n+s必须至少为2，R.sub.1和R.sub.2分别是氢，低烷基，环烷基，低烯基，Het，Aryl，R.sub.3、R.sub.4和R.sub.8分别是氢，低烷基，芳基，R.sub.5和R.sub.6分别是氢或低烷基，R.sub.7是氢，低烷基，环烷基，Het-低烷基或芳基，Het是一种单环5-或6-成员杂芳基或含有一或两个异原子（氮、氧和硫）的双环杂芳基基团，该基团可以被低烷基，卤素或芳基取代，星号表示连接点，当R.sub.6和R.sub.7不同时，它们的对映异构体和混合物，当R.sub.1和R.sub.2不同时，它们的几何异构体以及药学上可接受的酸盐也被描述。公式I的化合物表现为血小板活化因子（PAF）拮抗剂的活性，因此，它们对于具有过量血小板活化因子的疾病状态或预防和治疗心血管疾病，肺部疾病，免疫性疾病，炎症性疾病，皮肤病，休克或移植排斥反应是有用的。