podophyllotoxin

• 分子结构分类: 有机化合物 - 木脂素、新木脂素和相关化合物 - 木脂素内酯
• 英文名称: podophyllotoxin
• 英文别名: (5R,5aR,9R)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one
• 化学式: C₂₂H₂₂O₈
• 分子量: 414.412
• InChiKey: YJGVMLPVUAXIQN-LLBQBPMSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  30
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  92.7
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  podophyllotoxin 在 四氢吡咯 、 三氟化硼乙醚 、 四丁基溴化铵 、 一水合肼 、 palladium dichloride 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 10.5h， 生成 (5R,8aR,9S)-9-((3-(3-nitrophenyl)-1H-pyrazol-5-yl)methoxy)-5-(3,4,5-trimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one
  参考文献：
  名称：

  一些新的区域选择性 4β-吡唑鬼臼毒素作为 DNA 拓扑异构酶-II 靶向抗癌剂的一锅法合成

  摘要：

  简单、高效和可回收的 Pd 纳米粒子通过串联酰基-Sonogashira 偶联，然后使用 TBAB 进行分子内环化，在环境友好的水性 PEG-400 介质中催化一锅法合成区域选择性 4β-芳基吡唑-表鬼臼毒素衍生物 ( 6a-o )新文库正如本文所描述的 PTC。此外，还探索了这些化合物的体外使用 MTT 测定对五种不同的人类癌细胞系包括 Colo-205（结肠癌）、MCF-7（乳腺癌）、A549（肺癌）、PC3（前列腺癌）和 A2780（卵巢癌）的抗癌活性和结果与标准依托泊苷相比。结果表明，大多数微摩尔浓度的合成化合物显示出更有效的活性。其中，化合物6b、6f和6h对四种细胞系具有最有希望的抗癌活性，特别是化合物6c和6k对整个细胞系显示出优于标准品的抗癌活性。此外，五种有效化合物的计算机模拟研究进行图6b、6c、6f、6h和6k以鉴定与DNA拓扑异构酶-II的相互作用并发现能量计算与获得的IC

  DOI：

  10.1016/j.molstruc.2021.131724

文献信息

• PHOSPHORAMIDITE DERIVATIVES OF FOLIC ACID
  申请人：Barta Nancy Sue

  公开号：US20120035362A1

  公开（公告）日：2012-02-09

  The present invention provides for compounds of Formula I: wherein L and R 1 -R 6 have any of the values defined there for in the specification. The compounds of formula I are useful as reagents to form folic acid conjugates with hydroxyl-containing compounds of interest, such as oligonucleotides and anti-cancer compounds.

  本发明提供了I式化合物：其中L和R1-R6的任何值均在说明书中定义。I式化合物可用作试剂，与感兴趣的羟基含有化合物如寡核苷酸和抗癌化合物形成叶酸共轭物。
• HAPTENS, HAPTEN CONJUGATES, COMPOSITIONS THEREOF AND METHOD FOR THEIR PREPARATION AND USE
  申请人：Ventana Medical Systems, Inc.

  公开号：EP3276349A1

  公开（公告）日：2018-01-31

  A method for performing a multiplexed diagnostic assay, such as for two or more different targets in a sample, is described. One embodiment comprised contacting the sample with two or more specific binding moieties that bind specifically to two or more different targets. The two or more specific binding moieties are conjugated to different haptens, and at least one of the haptens is an oxazole, a pyrazole, a thiazole, a nitroaryl compound other than dinitrophenyl, a benzofurazan, a triterpene, a urea, a thiourea, a rotenoid, a coumarin, a cyclolignan, a heterobiaryl, an azo aryl, or a benzodiazepine. The sample is contacted with two or more different anti-hapten antibodies that can be detected separately. The two or more different anti-hapten antibodies may be conjugated to different detectable labels. In particular, in this invention the haptens are a thiazole sulfonamide or a benzofurazan. The linker in the conjugate is a polymer comprising 1 to 15 ethylene glycol units. A kit with a hapten and anti-hapten antibody is also described.

  本文描述了一种进行多重诊断检测的方法，例如针对样品中两个或多个不同靶点的检测。其中一个实施方案包括用两个或两个以上特异性结合分子与样品接触，这些特异性结合分子与两个或两个以上不同的靶标特异性结合。这两种或两种以上特异性结合分子与不同的抗原共轭，其中至少一种抗原是噁唑、吡唑、噻唑、二硝基苯以外的硝基芳基化合物、苯并呋喃、三萜、脲、硫脲、类橙皮甙、香豆素、环木脂素、杂芳基、偶氮芳基或苯并二氮杂卓。样品与两种或两种以上可分别检测的不同抗链肽抗体接触。这两种或两种以上不同的抗链肽抗体可与不同的可检测标签连接。特别是在本发明中，合剂是噻唑磺酰胺或苯并呋喃。共轭物中的连接体是由 1 至 15 个乙二醇单元组成的聚合物。本发明还描述了一种含有合酶和抗合酶抗体的试剂盒。
• TERMINALLY-BRANCHED POLYMERIC LINKERS AND POLYMERIC CONJUGATES CONTAINING THE SAME
  申请人：ENZON, INC.

  公开号：EP1361895B1

  公开（公告）日：2007-11-14
• POLYMERIC CARRIERS FOR IMMUNOHISTOCHEMISTRY AND IN SITU HYBRIDIZATION
  申请人：Ventana Medical Systems, Inc.

  公开号：EP2167963B1

  公开（公告）日：2019-04-17
• Haptens, hapten conjugates, compositions thereof and method for their preparation and use
  申请人：Kosmeder Jerome W.

  公开号：US20080268462A1

  公开（公告）日：2008-10-30

  A method for performing a multiplexed diagnostic assay, such as for two or more different targets in a sample, is described. One embodiment comprised contacting the sample with two or more specific binding moieties that bind specifically to two or more different targets. The two or more specific binding moieties are conjugated to different haptens, and at least one of the haptens is an oxazole, a pyrazole, a thiazole, a nitroaryl compound other than dinitrophenyl, a benzofurazan, a triterpene, a urea, a thiourea, a rotenoid, a coumarin, a cyclolignan, a heterobiaryl, an azo aryl, or a benzodiazepine. The sample is contacted with two or more different anti-hapten antibodies that can be detected separately. The two or more different anti-hapten antibodies may be conjugated to different detectable labels.