4,5-dimethoxy-3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-phthalide

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 邻苯二甲酸异喹啉类
• 英文名称: 4,5-dimethoxy-3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-phthalide
• 英文别名: 4,5-Dimethoxy-3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isochinolin-5-yl)-phthalid；4,5-dimethoxy-3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-2-benzofuran-1(3H)-one；4,5-dimethoxy-3-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3H-2-benzofuran-1-one
• 化学式: C₂₂H₂₃NO₇
• 分子量: 413.427
• InChiKey: IBCXQWACMNKPCL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 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：
  75.7
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  7-iodo-4,5-dimethoxy-3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-phthalide 在 甲醇 、 sodium amalgam 作用下， 生成 4,5-dimethoxy-3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-phthalide
  参考文献：
  名称：

  179.β-伪gnoscopine

  摘要：

  DOI：

  10.1039/jr9320001370

文献信息

• Methods of preventing or treating flavivirus virus infections and methods of inhibiting the entry of flvivirus, enterovirus or lentivirus into host cells
  申请人：City University of Hong Kong

  公开号：US11357771B2

  公开（公告）日：2022-06-14

  A method of preventing or treating a subject suffering from a flavivirus infection by administering an effective amount of berbamine or its analogue to the subject, berbamine has a structure of Formula (I), wherein the flavivirus infection is caused by Japanese encephalitis virus, Zika virus or Dengue virus. A method of inhibiting the entry of a flavivirus, an enterovirus and/or a lentivirus into host cells includes contacting the host cells with an effective amount of berbamine of its analogue, berbamine has a structure of Formula (I), wherein the flavivirus is Japanese encephalitis virus, Zika virus or Dengue virus.

  一种通过向受试者施用有效量的小檗胺或其类似物来预防或治疗黄病毒感染的方法，小檗胺具有式(I)的结构，其中黄病毒感染是由日本脑炎病毒、寨卡病毒或登革病毒引起的。一种抑制黄病毒、肠道病毒和/或慢病毒进入宿主细胞的方法，包括使宿主细胞与有效量的伯胺或其类似物接触，伯胺具有式（I）的结构，其中黄病毒是日本脑炎病毒、寨卡病毒或登革病毒。
• METHODS OF PREVENTING OR TREATING FLAVIVIRUS VIRUS INFECTIONS AND METHODS OF INHIBITING THE ENTRY OF FLVIVIRUS, ENTEROVIRUS OR LENTIVIRUS INTO HOST CELLS
  申请人：City University of Hong Kong

  公开号：US20210060002A1

  公开（公告）日：2021-03-04

  A method of preventing or treating a subject suffering from a flavivirus infection by administering an effective amount of berbamine or its analogue to the subject, berbamine has a structure of Formula (I), wherein the flavivirus infection is caused by Japanese encephalitis virus, Zika virus or Dengue virus. A method of inhibiting the entry of a flavivirus, an enterovirus and/or a lentivirus into host cells includes contacting the host cells with an effective amount of berbamine of its analogue, berbamine has a structure of Formula (I), wherein the flavivirus is Japanese encephalitis virus, Zika virus or Dengue virus.
• [EN] USE OF BERBAMINE OR ITS ANALOGUE FOR PREVENTING OR TREATING RNA VIRUS INFECTION<br/>[FR] UTILISATION DE BERBAMINE OU DE SON ANALOGUE POUR LA PRÉVENTION OU LE TRAITEMENT D'UNE INFECTION PAR LE VIRUS DE L'ARN
  申请人：UNIV CITY HONG KONG

  公开号：WO2021043234A1

  公开（公告）日：2021-03-11

  Provided herein is a method of preventing or treating a subject suffering from a flavivirus infection by administering an effective amount of berbamine or its analogue to the subject, berbamine has a structure of Formula (I), wherein the flavivirus infection is caused by Japanese encephalitis virus, Zika virus or Dengue virus, and a method of inhibiting the entry of a flavivirus, an enterovirus and/or a lentivirus into host cells, comprising contacting the host cells with an effective amount of berbamine of its analogue, berbamine has a structure of Formula (I), wherein the flavivirus is Japanese encephalitis virus, Zika virus or Dengue virus. Also provided is a method of preventing or treating a subject suffering from a coronavirus, particularly the coronavirus is SARS-CoV-2 or MERS-CoV, a method of inhibiting the entry of a coronavirus into host cells, as well as use of berbamine or its analogue in the preparation of a medicament for preventing or treating a flavivirus infection, enterovirus infection, lentivirus infection or coronavirus infection.