2,3-diacetoxypropionic acid | 87844-87-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2,3-diacetoxypropionic acid
• 英文别名: 2,3-diacetoxypropanoic acid；2,3-diacetyloxypropanoic acid
• CAS: 87844-87-9
• 化学式: C₇H₁₀O₆
• mdl: MFCD08059120
• 分子量: 190.153
• InChiKey: DBCZFJFZKAQGSL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  13
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.571
• 拓扑面积：
  89.9
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2,3-diacetoxypropionic acid 在 氯化亚砜 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以68%的产率得到3-chloro-3-oxopropan-1,2-diyl diacetate
  参考文献：
  名称：

  CONTRAST AGENTS

  摘要：

  本发明涉及一类化合物以及含有这种化合物的诊断组合物，其中这些化合物是含碘化合物。更具体地说，这些含碘化合物是化学化合物，含有一个脂肪族N-杂环中心基团，如吡咯烷或哌啶杂环，允许将三个碘化苯基团与之结合。该发明还涉及将这种诊断组合物用作对比剂在诊断成像中的应用，特别是在X射线成像中，并且涉及含有这种化合物的对比介质。

  公开号：

  US20080260651A1
• 作为产物：
  描述：

  乙酰氯 、 lithium 2,3-dihydroxypropanoate 反应 30.0h， 以75%的产率得到2,3-diacetoxypropionic acid
  参考文献：
  名称：

  CONTRAST AGENTS

  摘要：

  本发明涉及一类化合物以及含有这种化合物的诊断组合物，其中这些化合物是含碘化合物。更具体地说，这些含碘化合物是化学化合物，含有一个脂肪族N-杂环中心基团，如吡咯烷或哌啶杂环，允许将三个碘化苯基团与之结合。该发明还涉及将这种诊断组合物用作对比剂在诊断成像中的应用，特别是在X射线成像中，并且涉及含有这种化合物的对比介质。

  公开号：

  US20080260651A1

文献信息

• Structure-Based Inhibitors of Influenza Virus Sialidase. A Benzoic Acid Lead with Novel Interaction
  作者：Sangeeta Singh、Marek J. Jedrzejas、Gillian M. Air、Ming Luo、W. Graeme Laver、Wayne J. Brouillette

  DOI：10.1021/jm00017a005

  日期：1995.8

  for infection of the virus. The catalytic site is highly conserved among all known influenza variants, suggesting that this protein is a suitable target for drug intervention. The most potent known inhibitors are analogs of 2-deoxy-2,3-didehydro-N-acetylneuraminic acid (Neu5Ac2en), particularly the 4-guanidino derivative (4-guanidino-Neu5Ac2en). We utilized the benzene ring of 4-(N-acetylamino)benzoic

  流感病毒唾液酸酶是一种表面酶，对于感染病毒至关重要。在所有已知的流感变体中，催化位点均高度保守，表明该蛋白是药物干预的合适靶标。最有效的已知抑制剂是2-脱氧-2，3-二氢-N-乙酰神经氨酸（Neu5Ac2en），特别是4-胍基衍生物（4-胍基-Neu5Ac2en）的类似物。我们利用4-（N-乙酰氨基）苯甲酸的苯环作为环状模板替代Neu5Ac2en的二氢吡喃环。在这项研究中，准备了几种3-（N-酰基氨基）衍生物作为Neu5Ac2en甘油侧链的潜在替代物，并且发现其中一些与唾液酸酶的相同结合亚位相互作用。更重要的意义是观察到，迄今为止确定的最有效的流感唾液酸酶苯甲酸抑制剂（IC50 = 10 microM）3-胍基苯甲酸衍生物（相当于4-胍基-Neu5Ac2en的4-胍基）。与胍基结合子位点相反，唾液酸酶上的甘油结合子位点。因此，该苯甲酸衍生物提供了一种新化合物，该化合物以新颖的方式与流感唾液酸酶的催化​​位点相互作用。
• TRIAZOLOPYRIDINONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS
  申请人：Koltun Dmitry

  公开号：US20090253738A1

  公开（公告）日：2009-10-08

  The present invention discloses triazolopyridinone derivatives for use as inhibitors of stearoyl-CoA desaturase having the structure of Formula I: The compounds are useful in treating and/or preventing various human diseases, mediated by stearoyl-CoA desaturase (SCD) enzymes, especially diseases related to abnormal lipid levels, cardiovascular disease, diabetes, obesity, metabolic syndrome and the like.

  本发明揭示了三唑并吡啶酮衍生物，用作硬脂酰辅酶A去饱和酶的抑制剂，其结构为式I：这些化合物可用于治疗和/或预防由硬脂酰辅酶A去饱和酶（SCD）酶介导的各种人类疾病，特别是与异常脂质水平、心血管疾病、糖尿病、肥胖症、代谢综合征等有关的疾病。
• Inhibitors of influenza virus neuraminidase and methods of making and
  申请人：The University of Alabama at Birmingham

  公开号：US05453533A1

  公开（公告）日：1995-09-26

  An influenza virus neuraminidase inhibitor, its analogs, its pharmaceutically acceptable salts, derivatives, and mixtures thereof having the following formula: ##STR1## where A is CO.sub.2 H, CO.sub.2 H.sub.3, NO.sub.2, SO.sub.3 H or PO.sub.3 H.sub.2, B is CH, N, O or S, R.sub.1 and R.sub.2 are H, NO.sub.2 or (CH.sub.m).sub.n X.sub.1 where m=1 or 2, n is an integer from 0 to 4 and X.sub.1 is guanidino, OH, NH.sub.2, SH, NO.sub.2, F, Cl, Br, I, CN, CF.sub.3, CO.sub.2 H, SO.sub.3 H or PO.sub.3 H.sub.2, R.sub.3 and R.sub.4 are H, (CH.sub.o).sub.p X.sub.2, (CH.sub.o).sub.p CHX.sub.2 CH.sub.2 X.sub.2, NH(CH.sub.o).sub.p CHX.sub.2 CH.sub.2 X.sub.2, NHCO(CH.sub.o).sub.p CH.sub.2 X.sub.2 or NHCO(CH.sub.o).sub.p CHX.sub.2 CH.sub.2 X.sub.2 where o=1 or 2, p is an integer from 0 to 4 and X.sub.2 is H, guanidino, OH, NH.sub.2, SH, NO.sub.2, CF.sub.3, CO.sub.2 H, SO.sub.3 H or PO.sub.3 H.sub.2 , R.sub.5 =H, OH, NH.sub.2, (CH.sub.k).sub.1 X.sub.3, CO(CH.sub.k).sub.1 X.sub.3, SO(CH.sub.k).sub.1 X.sub.3 or SO.sub.2 (CH.sub.k).sub.1 X.sub.3 where k=1 or 2, 1 is an integer from 0 to 4 and X.sub.3 is guanidino, OH, NH.sub.2, SH, NO.sub.2, CF.sub.3, CO.sub.2 H, SO.sub.3 H or PO.sub.3 H.sub.2, R.sub.6 is H, CH(OH)X.sub.4, CH(NH.sub.2)X.sub.4, COX.sub.4, SOX.sub.4, or SO.sub.2 X.sub.4, where X.sub.4 is H, CH.sub.3, CH.sub.3 CH.sub.2, CH.sub.3 CHCH.sub.3, CH.sub.3 CH.sub.2 CH.sub.2 or halogen substituted analogs of X.sub.4. The inhibitor in a composition with a pharmaceutically acceptable carrier. A method of inhibiting influenza virus neuraminidase where the inhibitor is administered to a subject in a pharmaceutically acceptable amount along with effective amounts of a pharmaceutically acceptable carrier. Methods of marking a pharmaceutical composition of an acceptable carrier and the inhibitor. Methods of treating and preventing a subject infected with influenza virus (type A or B) using the inhibitor.

  一种流感病毒神经氨酸酶抑制剂及其类似物、其药学上可接受的盐、衍生物和混合物，其化学式如下：##STR1## 其中A为CO.sub.2 H、CO.sub.2 H.sub.3、NO.sub.2、SO.sub.3 H或PO.sub.3 H.sub.2，B为CH、N、O或S，R.sub.1和R.sub.2为H、NO.sub.2或(CH.sub.m).sub.n X.sub.1，其中m为1或2，n为0至4的整数，X.sub.1为guanidino、OH、NH.sub.2、SH、NO.sub.2、F、Cl、Br、I、CN、CF.sub.3、CO.sub.2 H、SO.sub.3 H或PO.sub.3 H.sub.2，R.sub.3和R.sub.4为H、(CH.sub.o).sub.p X.sub.2、(CH.sub.o).sub.p CHX.sub.2 CH.sub.2 X.sub.2、NH(CH.sub.o).sub.p CHX.sub.2 CH.sub.2 X.sub.2、NHCO(CH.sub.o).sub.p CH.sub.2 X.sub.2或NHCO(CH.sub.o).sub.p CHX.sub.2 CH.sub.2 X.sub.2，其中o为1或2，p为0至4的整数，X.sub.2为H、guanidino、OH、NH.sub.2、SH、NO.sub.2、CF.sub.3、CO.sub.2 H、SO.sub.3 H或PO.sub.3 H.sub.2，R.sub.5=H、OH、NH.sub.2、(CH.sub.k).sub.1 X.sub.3、CO(CH.sub.k).sub.1 X.sub.3、SO(CH.sub.k).sub.1 X.sub.3或SO.sub.2(CH.sub.k).sub.1 X.sub.3，其中k为1或2，1为0至4的整数，X.sub.3为guanidino、OH、NH.sub.2、SH、NO.sub.2、CF.sub.3、CO.sub.2 H、SO.sub.3 H或PO.sub.3 H.sub.2，R.sub.6为H、CH(OH)X.sub.4、CH(NH.sub.2)X.sub.4、COX.sub.4、SOX.sub.4或SO.sub.2 X.sub.4，其中X.sub.4为H、CH.sub.3、CH.sub.3 CH.sub.2、CH.sub.3 CHCH.sub.3、CH.sub.3 CH.sub.2 CH.sub.2或X.sub.4的卤素取代物。该抑制剂与药学上可接受的载体组成一种组合物。一种抑制流感病毒神经氨酸酶的方法，其中将该抑制剂与药学上可接受的载体一起以药学上可接受的剂量给予受试者。标记药学上可接受的载体和抑制剂的药物组成物的方法。使用该抑制剂治疗和预防感染流感病毒（A型或B型）的受试者的方法。
• TRISUBSTITUTED TRIAZAMACROCYCLIC COMPOUNDS AND THEIR USE AS CONTRAST AGENTS
  申请人：Morrison-Iveson Veronique

  公开号：US20100111875A1

  公开（公告）日：2010-05-06

  The present invention relates to a class of compounds and to diagnostic compositions containing such compounds where the compounds are iodine containing compounds. More specifically the iodine containing compounds are chemical compounds containing a saturated triaza cyclic central moiety containing carbonyl functions allowing for the arrangement of three iodinated phenyl groups bound thereto. The invention also relates to the use of such diagnostic compositions as contrast agents in diagnostic imaging and in particular in X-ray imaging and to contrast media containing such compounds.

  本发明涉及一类化合物和包含这些化合物的诊断组合物，其中这些化合物是含碘化合物。更具体地，这些含碘化合物是化学化合物，包含一个饱和的三氮杂环中心基团，其中含有羰基功能，允许将三个碘化苯基团与其结合。本发明还涉及将这种诊断组合物用作诊断成像中的对比剂，特别是在X射线成像中，并涉及含有这种化合物的对比介质。
• Contrast agents
  申请人：GE Healthcare AS

  公开号：US08124806B2

  公开（公告）日：2012-02-28

  The present invention relates to a class of compounds and to diagnostic compositions containing such compounds where the compounds are iodine containing compounds. More specifically the iodine containing compounds are chemical compounds containing an aliphatic central moiety containing amide functions allowing for the arrangement of three iodinated phenyl groups bound thereto. The invention also relates to the use of such diagnostic compositions as contrast agents in diagnostic imaging and in particular in X-ray imaging and to contrast media containing such compounds.

  本发明涉及一类化合物以及含有这类化合物的诊断组合物，其中这些化合物是含碘化合物。更具体地说，这些含碘化合物是化学化合物，包含一个脂肪族中心基团，其中含有允许三个碘化苯基团与之结合的酰胺功能。本发明还涉及将这种诊断组合物作为对比剂在诊断成像中的使用，特别是在X射线成像中的使用，以及含有这种化合物的对比介质。