5,7-二羟基-2-(4-羟基-3-甲氧基苯基)-3-[(2S,3R,4S,5R,6R)-3,4,5-三羟基-6-[[(2R,3R,4R,5R,6S)-3,4,5-三羟基-6-甲基四氢吡喃-2-基]氧基甲基]四氢吡喃-2-基]氧基苯并吡喃-4-酮 | 107740-46-5

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 黄酮类化合物
• 中文名称: 5,7-二羟基-2-(4-羟基-3-甲氧基苯基)-3-[(2S,3R,4S,5R,6R)-3,4,5-三羟基-6-[[(2R,3R,4R,5R,6S)-3,4,5-三羟基-6-甲基四氢吡喃-2-基]氧基甲基]四氢吡喃-2-基]氧基苯并吡喃-4-酮
• 中文别名: 异鼠李丁亭3-O-α-鼠李吡喃糖基-(1-2)-β-吡喃半乳糖苷
• 英文名称: quercetin 3'-O-methyl ether 3-O-α-L-rhamnopyranosyl-(1'''→6")-β-D-galactopyranoside
• 英文别名: isorhamnetin 3-O-α-L-rhamnopyranosyl-(1→6)-β-_D-galactopyranoside；3-O-[α-L-rhamnopyranosyl-(1→6)-β-D-galactopyranosyl]-isorhamnetin；isorhamnetin 3-O-α-L-rhamnopyranosyl-(1→6)-β-D-galactopyranoside；isorhamnetin-3-O-α-L-rhamnopyranosyl-(1→6)-β-D-galactpyranoside；isorhamnetin 3-O-robinobioside；isorhamnetin-3-O-robinobioside；Isorhamnetin 3-O-alpha-rhamnopyranosyl-(1-2)-beta-galactopyranoside；5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
• CAS: 107740-46-5
• 化学式: C₂₈H₃₂O₁₆
• 分子量: 624.552
• InChiKey: UIDGLYUNOUKLBM-ZLADREHTSA-N

物化性质

• 熔点：
  183-186 °C
• 沸点：
  953.1±65.0 °C(Predicted)
• 密度：
  1.74±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1
• 重原子数：
  44
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  255
• 氢给体数：
  9
• 氢受体数：
  16

反应信息

• 作为反应物：
  描述：

  5,7-二羟基-2-(4-羟基-3-甲氧基苯基)-3-[(2S,3R,4S,5R,6R)-3,4,5-三羟基-6-[[(2R,3R,4R,5R,6S)-3,4,5-三羟基-6-甲基四氢吡喃-2-基]氧基甲基]四氢吡喃-2-基]氧基苯并吡喃-4-酮 在 oxonium 作用下， 生成 D-吡喃葡萄糖 、 L-rhamnopyranose 、 异鼠李素
  参考文献：
  名称：

  来自 Lysimachia vulgaris var. 的槲皮素 3-鼠李糖基 (1 → 2) 半乳糖苷。达武里察

  摘要：

  摘要来自Lysimachia vulgaris var. 的全株。davurica 是一种新的黄酮醇糖苷，与黄芪甲苷、金丝桃苷、异鼠李素 3-半乳糖苷、注射器素 3-半乳糖苷和异鼠李素 3-罗宾二糖苷一起被分离出来。新化合物的结构确定为槲皮素 3-鼠李糖基 (1 → 2) 半乳糖苷。

  DOI：

  10.1016/0031-9422(88)80719-2

文献信息

• METHODS OF PREVENTING TUMOR METASTASIS, TREATING AND PROGNOSING CANCER AND IDENTIFYING AGENTS WHICH ARE PUTATIVE METASTASIS INHIBITORS
  申请人：Yeda Research and Development Co. Ltd.

  公开号：US20150290233A1

  公开（公告）日：2015-10-15

  A method of preventing tumor metastasis with the proviso that the tumor is not glioma is provided. The method comprising administering to a subject in need thereof a therapeutically effective amount of an inhibitor of synaptojanin 2 (SYNJ2), thereby preventing tumor metastasis. Also, provided is a method of treating cancer. The method comprising, administering to a subject in need thereof a therapeutically effective amount of an inhibitor of synaptojanin 2 (SYNJ2) and an inhibitor of a cell surface receptor associated with an onset or progression of cancer, thereby treating cancer.
• SYNAPTOJANIN-2 INHIBITORS FOR USE IN THE TREATMENT OF CANCER
  申请人：YEDA RESEARCH AND DEVELOPMENT CO. LTD.

  公开号：US20170042857A1

  公开（公告）日：2017-02-16

  Disclosed herein are synaptojanin-2 inhibitors, and novel methods and uses utilizing same for preventing tumor metastasis, treating cancer or inhibiting synaptojanin-2. Compounds disclosed herein include chlorhexidine and pyrvinium, the compound having the formula: and compounds characterized by the general formula: X-L-[(Y)i-(Z)j]-(L-X)k and/or by the general formula: wherein L, X, Y, Z, D, E, i, j and k are as defined herein.
• [EN] METHODS OF PREVENTING TUMOR METASTASIS, TREATING AND PROGNOSING CANCER AND IDENTIFYING AGENTS WHICH ARE PUTATIVE METASTASIS INHIBITORS<br/>[FR] MÉTHODES DE PRÉVENTION D'UNE MÉTASTASE TUMORALE, DE TRAITEMENT ET DE PRONOSTIC DU CANCER, ET D'IDENTIFICATION D'AGENTS SUSCEPTIBLES DE CONSTITUER DES INHIBITEURS DE MÉTASTASE
  申请人：YEDA RES & DEV

  公开号：WO2014083567A2

  公开（公告）日：2014-06-05

  A method of preventing tumor metastasis with the proviso that the tumor is not glioma is provided. The method comprising administering to a subject in need thereof a therapeutically effective amount of an inhibitor of synaptojanin 2 (SYNJ2), thereby preventing tumor metastasis. Also, provided is a method of treating cancer. The method comprising, administering to a subject in need thereof a therapeutically effective amount of an inhibitor of synaptojanin 2 (SYNJ2) and an inhibitor of a cell surface receptor associated with an onset or progression of cancer, thereby treating cancer.
• [EN] SYNAPTOJANIN-2 INHIBITORS AND USES THEREOF<br/>[FR] INHIBITEURS DE SYNAPTOJANINE-2 ET LEURS UTILISATIONS
  申请人：YEDA RES & DEV

  公开号：WO2015079413A2

  公开（公告）日：2015-06-04

  Disclosed herein are synaptojanin-2 inhibitors, and novel methods and uses utilizing same for preventing tumor metastasis, treating cancer or inhibiting synaptojanin-2. Compounds disclosed herein include chlorhexidine and pyrvinium, the compound having the formula: (I) and compounds characterized by the general formula: X-L-[(Y)i-(Z)j]-(L-X)k and/or by the general formula:(II) wherein L, X, Y, Z, D, E, i, j and k are as defined herein.
• Quercetin 3-rhamnosyl (1 → 2) galactoside from Lysimachia vulgaris var. davurica
  作者：Ken Yasukawa、Michio Takido

  DOI：10.1016/0031-9422(88)80719-2

  日期：1988.1

  Abstract From the whole plant of Lysimachia vulgaris var. davurica, a new flavonol glycoside was isolated together with astragalin, hyperin, isorhamnetin 3-galactoside, syringetin 3-galactoside and isorhamnetin 3-robinobioside. The structure of the new compound was established as quercetin 3-rhamnosyl (1 → 2) galactoside.

  摘要来自Lysimachia vulgaris var. 的全株。davurica 是一种新的黄酮醇糖苷，与黄芪甲苷、金丝桃苷、异鼠李素 3-半乳糖苷、注射器素 3-半乳糖苷和异鼠李素 3-罗宾二糖苷一起被分离出来。新化合物的结构确定为槲皮素 3-鼠李糖基 (1 → 2) 半乳糖苷。