2-amino-1-benzo[1,3]dioxol-5-yl-ethanone

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并间二氧杂环戊烯类
• 英文名称: 2-amino-1-benzo[1,3]dioxol-5-yl-ethanone
• 英文别名: 2-Amino-1-benzo[1,3]dioxol-5-yl-aethanon；2-amino-1-(1,3-benzodioxol-5-yl)ethanone；3,4-Methylendioxyphenacylamin
• 化学式: C₉H₉NO₃
• 分子量: 179.175
• InChiKey: JERKFMHQQAOPMW-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：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  61.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-amino-1-benzo[1,3]dioxol-5-yl-ethanone 、 4-苯氧基苯磺酰氯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 4.0h， 以98%的产率得到N-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-4-(phenyloxy)benzenesulfonamide
  参考文献：
  名称：

  [EN] CALCILYTIC COMPOUNDS
  [FR] COMPOSÉS CALCILYTIQUE

  摘要：

  提供了新型钙受体拮抗剂化合物、药物组合物、合成方法和使用方法。

  公开号：

  WO2010039911A1
• 作为产物：
  描述：

  benzo[1,3]dioxol-5-yl-glyoxylonitrile 在 钯 、 溶剂黄146 作用下， 生成 2-amino-1-benzo[1,3]dioxol-5-yl-ethanone
  参考文献：
  名称：

  Über neue und über verbesserte Wege zum Aufbau von pharmakologisch wichtigen Aminen III. Über die Synthese von Adrenalin und von adrenalinähnlichen Verbindungen

  摘要：

  DOI：

  10.1002/ardp.19312693504

文献信息

• Imidazole and thiazole compositions for modifying biological signaling
  申请人：Ohio University

  公开号：US10023567B2

  公开（公告）日：2018-07-17

  Compounds having General Formula (I) or General Formula (II): in which R1 is chosen from C1 to C10 aliphatic or heteroaliphatic groups, optionally substituted with one or more aryl groups, substituted aryl groups, heteroaryl groups, substituted heteroaryl groups, or combination thereof; R2 is chosen from aromatic moieties, substituted aromatic moieties, heteroaromatic moieties substituted heteroaromatic moieties, and coumarin; R3 is chosen from —H, C1 to C10 aliphatic or heteroaliphatic groups, phenyl, or substituted phenyl, wherein the aliphatic or heteroaliphatic groups are optionally substituted with one or more phenyl groups, aryl groups, heteroaryl groups, substituted heteroaryl groups, or combination thereof, and wherein the aliphatic or heteroaliphatic groups are optionally bonded to R2 to form a ring; X is S or O; and Y is S or NH, may be used in pharmaceutical compositions that modify of biological signaling processes or as reagents for biological assays.

  具有通式(I)或通式(II)的化合物：其中 R1 选自 C1 至 C10 脂肪族或杂脂肪族基团，任选被一个或多个芳基、取代芳基、杂芳基、取代杂芳基或其组合取代；R2 选自芳香族基团、取代芳香族基团、杂芳香族基团、取代杂芳香族基团和香豆素；R3 选自-H、C1 至 C10 脂肪族或杂脂肪族基团、苯基或取代苯基，其中脂肪族或杂脂肪族基团可选择被一个或多个苯基、芳基、杂芳基、取代杂芳基或其组合取代，并且其中脂肪族或杂脂肪族基团可选择与 R2 键合形成环；X 是 S 或 O；Y 是 S 或 NH，可用于改变生物信号转导过程的药物组合物或用作生物检测试剂。
• Prevention and treatment of non-alcoholic fatty liver disease
  申请人：Ohio University

  公开号：US10392381B2

  公开（公告）日：2019-08-27

  Methods for preventing, treating, and/or reducing the risk of developing non-alcoholic fatty liver disease in a subject in need thereof and pharmaceutical compositions for the prevention or treatment of non-alcoholic fatty liver disease. Methods for inhibiting excessive accumulation of fat in liver tissue. The methods include administering to the subject or contacting the liver tissue with a therapeutically effective amount of at least one compound of General Formula (I) or General Formula (II): or pharmaceutically-acceptable salts or solvates thereof. The pharmaceutical composition includes at least one compound of the General Formula (I) or the General Formula (II) for administration to a subject for the prevention or treatment of non-alcoholic fatty liver disease.

  预防、治疗和/或降低有需要者患非酒精性脂肪肝风险的方法，以及预防或治疗非酒精性脂肪肝的药物组合物。抑制脂肪在肝组织中过度积累的方法。这些方法包括向受试者施用或用治疗有效量的至少一种通式（I）或通式（II）化合物：或其药学上可接受的盐或溶解物接触肝组织。药物组合物包括至少一种通式(I)或通式(II)化合物，用于给受试者用药，以预防或治疗非酒精性脂肪肝。
• Neber; Burgard; Thier, Justus Liebigs Annalen der Chemie, 1936, vol. 526, p. 277,287
  作者：Neber、Burgard、Thier

  DOI：——

  日期：——
• NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF
  申请人：Senomyx Inc.

  公开号：EP1659881B1

  公开（公告）日：2019-04-03
• PREVENTION AND TREATMENT OF NON-ALCOHOLIC FATTY LIVER DISEASE
  申请人：Ohio University

  公开号：US20170196845A1

  公开（公告）日：2017-07-13

  Methods for preventing, treating, and/or reducing the risk of developing non-alcoholic fatty liver disease in a subject in need thereof and pharmaceutical compositions for the prevention or treatment of non-alcoholic fatty liver disease. Methods for inhibiting excessive accumulation of fat in liver tissue. The methods include administering to the subject or contacting the liver tissue with a therapeutically effective amount of at least one compound of General Formula (I) or General Formula (II): or pharmaceutically-acceptable salts or solvates thereof. The pharmaceutical composition includes at least one compound of the General Formula (I) or the General Formula (II) for administration to a subject for the prevention or treatment of non-alcoholic fatty liver disease.