环己烯,4-甲氧基-4-(1-甲基乙基)-(9CI) | 139261-92-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 环己烯,4-甲氧基-4-(1-甲基乙基)-(9CI)
• 中文别名: 1-乙基-3-羟基-2-(1-羟基乙基)吡啶-4-酮
• 英文名称: 1-Ethyl-2-(1-hydroxyethyl)-3-hydroxypyridin-4-one
• 英文别名: 1-ethyl-3-hydroxy-2-(1-hydroxyethyl)pyridin-4-one
• CAS: 139261-92-0
• 化学式: C₉H₁₃NO₃
• 分子量: 183.2
• InChiKey: KICQOVVEMVVNSD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  60.8
• 氢给体数：
  2
• 氢受体数：
  4

文献信息

• [EN] NOVEL ORALLY ACTIVE IRON (III) CHELATORS<br/>[FR] NOUVEAUX CHELATEURS DU FER (III) AGISSANT PAR LA VOIE ORALE
  申请人：BTG INTERNATIONAL LIMITED

  公开号：WO1998054138A1

  公开（公告）日：1998-12-03

  (EN) A novel 3-hydroxypyridin-4-one compound of formula (I) is provided, wherein R is hydrogen or a group that is removed by metabolism $i(in vivo) to provide the free hydroxy compound, R1 is an aliphatic hydrocarbon group or an aliphatic hydrocarbon group substituted by a hydroxy group or a carboxylic acid ester, sulpho acid ester or a C1-6alkoxy, C6-aryloxy or C7-10aralkoxy ether thereof, R3 is selected from hydrogen and C1-6alkyl; and R4 is selected from hydrogen and C1-6alkyl, C1-6alkyl and a group as described for R2; characterised in that R2 is selected from groups (i) -CONH-R5, (ii) -CH2NHCO-R5, (iii) -SO2NH-R5, (iv) -CH2NHSO2-R5, (v) -CR6R6OR7, (viii) -CONHCOR5, wherein R5 is selected from hydrogen and optionally hydroxy, alkoxy, or aralkoxy substituted C1-13alkyl, aryl and C7-13aralkyl, R6 is independently selected from hydrogen, C1-13alkyl, aryl and C7-13aralkyl, and R7 is selected from hydrogen, C1-13alkyl, aryl and C7-13aralkyl or a pharmaceutically acceptable salt of any such compound with the proviso that when R7 is hydrogen, R6 is not selected from aryl and with the proviso that the compound is not 1-ethyl-2-(1'-hydroxyethyl)-3-hydroxypyridin-4-one.(FR) Nouveau composé 3-hydroxypyridin-4-one de la formule (I) dans laquelle R représente un hydrogène ou un groupe extrait par métabolisme $i(in vivo) dans le but de fournir composé hydroxy libre; R1 représente un groupe hydrocarbure aliphatique ou un groupe hydrocarbure aliphatique substitué par un groupe hydroxy ou un ester d'acide carboxylique, un ester de sulphoacide, un éther C1-6alcoxy, ou C7-10aryloxy ou aralkyloxy de ce groupe hydrocarbure; R3 est sélectionné parmi l'hydrogène et un C1-6alkyle; et R4 est sélectionné parmi l'hydrogène, un C1-6alkyle et un groupe tel que décrit pour R2. Ce composé est caractérisé en ce que R2 est sélectionné parmi des groupes (i) -CONH-R5; (ii) -CH2NHCO-R5; (iii) -SO2NH-R5; (iv) -CH2NHSO2-R5; (v) -CR6R6OR7; (viii) -CONHCOR5 dans lesquels R5 est sélectionné parmi l'hydrogène et un C1-13alkyle, aryle et C7-13aralkyle éventuellement substitués par un hydroxy, alcoxy ou aralcoxy; R6 est indépendamment sélectionné parmi l'hydrogène, un C1-13alkyle, aryle et C7-13aralkyle; et R7 est sélectionné parmi l'hydrogène, un C1-13alkyle, aryle et C7-13aralkyle. L'invention concerne en outre un sel pharmaceutiquement acceptable de n'importe lequel des composés de ce type et ce, à condition que lorsque R7 représente de l'hydrogène, R6 ne soit pas sélectionné parmi les aryles et à condition que le composé ne soit pas une 1-éthyl-2-(1'hydroxyéthyl)-3-hydroxypyridin-4-one.

  提供一种新型的3-羟基吡啶-4-酮化合物，其化学式为(I)，其中R为氢或一种在代谢中被去除以提供自由羟基化合物的基团，R1为脂肪烃基或被羟基或羧酸酯、磺酸酯或其C1-6烷氧基、C6-芳氧基或C7-10芳基烷氧基取代的脂肪烃基，R3选自氢和C1-6烷基；R4选自氢和C1-6烷基、C1-6烷基和R2所述的基团；其特征在于R2选自(i) -CONH-R5、(ii) -CH2NHCO-R5、(iii) -SO2NH-R5、(iv) -CH2NHSO2-R5、(v) -CR6R6OR7、(viii) -CONHCOR5，其中R5选自氢和可选地被羟基、烷氧基或芳基烷氧基取代的C1-13烷基、芳基和C7-13芳基烷基，R6独立选自氢、C1-13烷基、芳基和C7-13芳基烷基，R7选自氢、C1-13烷基、芳基和C7-13芳基烷基，或其药学上可接受的盐，但当R7为氢时，R6不得选自芳基，并且该化合物不得为1-乙基-2-(1'-羟基乙基)-3-羟基吡啶-4-酮。
• Novel orally active iron (III) chelators
  申请人：BTG International Limited.

  公开号：US20020068758A1

  公开（公告）日：2002-06-06

  A novel 3-hydroxypyridinone compound of formula I is provided 1 wherein R is hydrogen or a group that is removed by metabolism in vivo to provide the free hydroxy compound, R 1 is an aliphatic hydrocarbon group or an aliphatic hydrocarbon group substituted by a hydroxy group or a carboxylic acid ester, sulpho acid ester or a C 1-6 alkoxy, C 6 -aryloxy or C 7-10 aralkoxy ether thereof, R 3 is selected from hydrogen and C 1-6 alkyl; and R 4 is selected from hydrogen, C 1-6 alkyl and a group as described for R 2 ; characterized in that R 2 is selected from groups (i) —CONH—R 5 (ii) —CH 2 NHCO—R 5 (iii) —SO 2 NH—R 5 (iv) —CH 2 NHSO 2 —R 5 (v) —CR 6 R 6 OR 7 (viii) —CONHCOR 5 wherein R 5 is selected from hydrogen and optionally hydroxy, alkoxy, or aralkoxy substituted C 1-13 alkyl, aryl and C 7-13 aralkyl, R 6 is independently selected from hydrogen, C 1-13 alkyl, aryl and C 7-13 aralkyl, and R 7 is selected from hydrogen, C 1-13 alkyl, aryl and C 7-13 aralkyl or a pharmaceutically acceptable salt of any such compound with the proviso that when R 7 is hydrogen, R 6 is not selected from aryl and with the proviso that the compound is not 1-ethyl-2-(1′-hydroxyethyl)-3-hydroxypyridin-4-one.

  提供了一种新的3-羟基吡啶酮化合物，其化学式为I，其中R为氢或代谢在体内提供自由羟基化合物的基团，R1为脂肪族烃基或被羟基基团或羧酸酯、磺酸酯或其C1-6烷氧基、C6-芳氧基或C7-10芳基烷氧基所取代的脂肪族烃基，R3选自氢和C1-6烷基；R4选自氢、C1-6烷基和如R2所述的基团，其中R2选自以下基团：(i) —CONH—R5(ii) —CH2NHCO—R5(iii) —SO2NH—R5(iv) —CH2NHSO2—R5(v) —CR6R6OR7(viii) —CONHCOR5，其中R5选自氢和可选的羟基、烷氧基或芳基烷氧基取代的C1-13烷基、芳基和C7-13芳基烷基，R6独立选自氢、C1-13烷基、芳基和C7-13芳基烷基，R7选自氢、C1-13烷基、芳基和C7-13芳基烷基，或任何这种化合物的药学上可接受的盐，但是当R7为氢时，R6不选自芳基，并且该化合物不是1-乙基-2-(1'-羟乙基)-3-羟基吡啶-4-酮。
• Transdermal delivery of pharmaceutical agents
  申请人：Russell-Jones J. Gregory

  公开号：US20070243132A1

  公开（公告）日：2007-10-18

  The present invention generally relates to a vehicle useful for delivering a pharmaceutically active compound including a genetic molecule or composition. More particularly, the present invention provides microemulsions for transdermal delivery of pharmaceutically active agents to a subject.

  本发明通常涉及一种用于传递包括遗传分子或组成的药物活性化合物的车辆。更具体地，本发明提供了微乳液，用于经皮途径向受体传递药物活性剂。
• NOVEL ORALLY ACTIVE IRON (III) CHELATORS
  申请人：BTG INTERNATIONAL LIMITED (Company No. 2664412)

  公开号：EP0984934B1

  公开（公告）日：2003-01-08
• TRANSDERMAL DELIVERY OF PHARMACEUTICAL AGENTS
  申请人：Apollo Life Sciences Limited

  公开号：EP1978997A1

  公开（公告）日：2008-10-15