4-甲基伞形酮基β--葡糖苷酸水合物 | 881005-91-0

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物
• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 中文名称: 4-甲基伞形酮基β--葡糖苷酸水合物
• 中文别名: 氨甲酸,(2,3-二甲基苯基)-,1,1-二甲基乙基酯(9CI)；4-甲基伞形酮-Β-D-葡糖苷酸二水合物
• 英文名称: 4-Methylumbelliferyl-beta-D-glucuronide hydrate
• 英文别名: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-methyl-2-oxochromen-7-yl)oxyoxane-2-carboxylic acid;hydrate
• CAS: 881005-91-0
• 化学式: C16H18O10
• 分子量: 370.31
• InChiKey: URVSQZMOFUEQAW-YYHOVTOASA-N

物化性质

• 溶解度：
  DMSO：可溶，50mg/mL，澄清，无色至极淡黄色

计算性质

• 辛醇/水分配系数(LogP)：
  -1.45
• 重原子数：
  26
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  144
• 氢给体数：
  5
• 氢受体数：
  10

制备方法与用途

生物活性

4-甲基伞形酮-β-D-半乳糖苷 hydrate 是一种荧光底物，激发波长（λ_ex）为 362 nm，发射波长（λ_em）为 445 nm。

体外研究

对于污水样本，计算得出的半饱和常数 K_m 接近于此前在淡水实验数据图中所计算出的 K_m 值。

文献信息

• [EN] PHENOXY THIOPHENE SULFONAMIDES AND THEIR USE AS INHIBITORS OF GLUCURONIDASE<br/>[FR] PHÉNOXYTHIOPHÈNESULFAMIDES ET LEUR UTILISATION EN TANT QU'INHIBITEURS DE LA GLUCURONIDASE
  申请人：UNIV NORTH CAROLINA

  公开号：WO2011112858A1

  公开（公告）日：2011-09-15

  This invention relates generally to compounds that are glucuronidase inhibitors. Glucuronidase inhibitors described include phenoxy thiophene sulfonamides. Other compounds, for instance pyridine sulfonyls, benzene sulfonyls, thiophene sulfonyls, thiazole sulfonyls, thiophene carbonyls, and thiazole carbonyls, are also contemplated. Also contemplated are compositions including one or more of such compounds for use inhibiting glucuronidase and methods of using one or more of such compounds as a co-drug to be used in combination with the anticancer drug CPT-11.

  本发明涉及一般与葡萄糖醛酸酶抑制剂有关的化合物。所描述的葡萄糖醛酸酶抑制剂包括苯氧基噻吩磺酰胺。其他化合物，例如吡啶磺酰基、苯磺酰基、噻吩磺酰基、噻唑磺酰基、噻吩羰基和噻唑羰基也被考虑在内。还考虑包括一种或多种此类化合物的组合物，用于抑制葡萄糖醛酸酶，并使用一种或多种此类化合物作为联合用药，与抗癌药物CPT-11一起使用的辅助药物。
• [EN] SUBSTITUTED DIKETOPIPERAZINES FOR THE TREATMENT OF BENIGN PROSTATIC HYPERPLASIA<br/>[FR] DICETOPIPERAZINES POUR LE TRAITEMENT DE L'HYPERPLASIE BENIGNE DE LA PROSTATE
  申请人：GLAXO GROUP LTD

  公开号：WO2005000311A1

  公开（公告）日：2005-01-06

  A method of treating or preventing benign prostatic hyperplasia which comprises administering to a mammal in need thereof of an effective amount of a compound of Formula (I) where R1, R2, R3 and R4 are defined as provided in claim 1.

  一种治疗或预防良性前列腺增生的方法，包括向需要治疗的哺乳动物施用化合物(I)的有效量，其中R1、R2、R3和R4的定义如权利要求书1所述。
• [EN] SUBSTITUTED DIKETOPIPERAZINES AS OXYTOCIN ANTAGONISTS<br/>[FR] DICETOPIPERAZINES SUBSTITUES AGISSANT COMME DES ANTAGONISTES D'OXYTOCINES
  申请人：GLAXO GROUP LTD

  公开号：WO2003053443A1

  公开（公告）日：2003-07-03

  A method of treating or preventing diseases or conditions mediated through the action of oxytocin which comprises administering to a mammal in need thereof of an effective amount of a compound of the formula (I)and/or a physiologically acceptable derivative thereof, wherein the substituents have the meaning given in the description. Disclosed are also novel compounds of formula (I) and processes for their preparation.

  一种通过催产素作用介导治疗或预防疾病或病症的方法，包括向需要该方法的哺乳动物内给予式(I)化合物和/或其生理上可接受的衍生物的有效量，其中取代基的含义如描述中所给。还公开了式(I)的新化合物及其制备方法。
• PHENOXY THIOPHENE SULFONAMIDES AND THEIR USE AS INHIBITORS OF GLUCURONIDASE
  申请人：Williams Alfred L.

  公开号：US20130345235A1

  公开（公告）日：2013-12-26

  This invention relates generally to compounds that are glucuronidase inhibitors. Glucuronidase inhibitors described include phenoxy thiophene sulfonamides. Other compounds, for instance pyridine sulfonyls, benzene sulfonyls, thiophene sulfonyls, thiazole sulfonyls, thiophene carbonyls, and thiazole carbonyls, are also contemplated. Also contemplated are compositions including one or more of such compounds for use inhibiting glucuronidase and methods of using one or more of such compounds as a co-drug to be used in combination with the anticancer drug CPT-11.

  本发明涉及一般与葡萄糖醛酸酶抑制剂相关的化合物。所描述的葡萄糖醛酸酶抑制剂包括苯氧噻吩磺酰胺。其他化合物，例如吡啶磺酰基，苯磺酰基，噻吩磺酰基，噻唑磺酰基，噻吩羰基和噻唑羰基，也被考虑在内。还考虑包括一个或多个这样的化合物的组合物，用于抑制葡萄糖醛酸酶，并使用一个或多个这样的化合物作为与抗癌药物CPT-11联用的协同药物的方法。
• PHENOXY THIOPHENE SULFONAMIDES AND OTHER COMPOUNDS FOR USE AS INHIBITORS OF BACTERIAL GLUCURONIDASE
  申请人：WILLIAMS Alfred L.

  公开号：US20130345196A1

  公开（公告）日：2013-12-26

  This invention relates generally to compounds that are glucuronidase inhibitors. The glucuronidase inhibitors include phenoxy thiophene sulfonamides, and other compounds such as pyridine sulfonyls, benzene sulfonyls, thiophene sulfonyls, thiazole sulfonyls, thiophene carbonyls, and thiazole carbonyls. These compounds include nialamide, isocarboxazid, phenelzine, amoxapine, loxapine and mefloquine. Also compositions including one or more of such compounds for use in inhibiting glucuronidase and methods of using one or more of such compounds for selective inhibition of bacterial β-glucuronidase. These compounds may be used as a co-drug in combination with the anticancer drug CPT-11. Also a method for screening compounds to determine their usefulness in reducing diarrhea associated with irinotecan chemotherapy.

  本发明涉及一般与葡萄糖醛酸酶抑制剂有关的化合物。葡萄糖醛酸酶抑制剂包括苯氧硫苯甲酰胺和其他化合物，如吡啶磺酰基、苯磺酰基、噻吩磺酰基、噻唑磺酰基、噻吩羰基和噻唑羰基。这些化合物包括尼阿曼、异卡泊肼、苯妥英、阿莫西平、洛哌丁和美氟喹。此外，包括一种或多种此类化合物的组合物，用于抑制葡萄糖醛酸酶，并使用一种或多种此类化合物的方法，选择性地抑制细菌β-葡萄糖醛酸酶。这些化合物可与抗癌药CPT-11一起作为联合药物使用。还提供一种筛选化合物的方法，以确定其在减少伊立替康化疗相关腹泻方面的有用性。