1-[羟基(噻吩-2-基)甲基]环丁烷-1-羧酸乙酯 | 414859-89-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羟基酸及其衍生物
• 中文名称: 1-[羟基(噻吩-2-基)甲基]环丁烷-1-羧酸乙酯
• 英文名称: 1-(1-Hydroxy-1-thiophen-2-yl-methyl)cyclobutanecarboxylic Acid Ethyl Ester
• 英文别名: 1(1-Hydroxy-l-thiophen-2-yl-methyl)cyclobutanecarboxylic Acid Ethyl Ester；1(1-Hydroxy-1-thiophen-2-yl-methyl)cyclobutanecarboxylic acid ethyl ester；Cyclobutanecarboxylic acid, 1-(hydroxy-2-thienylmethyl)-, ethyl ester；ethyl 1-[hydroxy(thiophen-2-yl)methyl]cyclobutane-1-carboxylate
• CAS: 414859-89-5
• 化学式: C₁₂H₁₆O₃S
• 分子量: 240.323
• InChiKey: XPUSXWAWBHBTSW-UHFFFAOYSA-N

物化性质

• 沸点：
  350.7±17.0 °C(Predicted)
• 密度：
  1.267±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  74.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-[羟基(噻吩-2-基)甲基]环丁烷-1-羧酸乙酯 、 碘代三甲硅烷 以 乙腈 为溶剂， 生成 1-Thiophen-2-yl-methylcyclobutanecarboxylic Acid Ethyl Ester
  参考文献：
  名称：

  &ohgr;-Cycloalkyl 17-heteroaryl prostaglandin E2 analogs as EP2-receptor agonists

  摘要：

  该发明涉及将E型前列腺素衍生物用作EP2激动剂，一般而言，特别是作为眼压降低剂。根据该发明使用的PGE衍生物由以下式I表示：其中阴影部分代表α键，实心三角形代表β键，波浪线段代表α或β键，虚线代表双键或单键，R，R1，R2和R3如规范中所定义。

  公开号：

  US06586462B2

文献信息

• &ohgr;-Cycloalkyl 17-heteroaryl prostaglandin E2 analogs as EP2-receptor agonists
  申请人：Allergan, Inc.

  公开号：US06586462B2

  公开（公告）日：2003-07-01

  The invention relates to the use of derivatives of E-type prostaglandins as EP2 agonists, in general, and, in particular as ocular hypotensives. The PGE derivatives used in accordance with the invention are represented by the following formula I: wherein the hatched segment represents an &agr; bonds, the solid triangle represents a &bgr; bond, the wavy segments represent &agr; or &bgr; bond, dashed lines represent a double bond or a single bond R, , R1, R2 and R3 are as defined in the specification.

  该发明涉及将E型前列腺素衍生物用作EP2激动剂，一般而言，特别是作为眼压降低剂。根据该发明使用的PGE衍生物由以下式I表示：其中阴影部分代表α键，实心三角形代表β键，波浪线段代表α或β键，虚线代表双键或单键，R，R1，R2和R3如规范中所定义。
• Cycloalkyl 17-heteroaryl prostaglandin E2 analogs as EP2-receptor agonists
  申请人：Burk M, Robert

  公开号：US20050113338A1

  公开（公告）日：2005-05-26

  The invention relates to the use of derivatives of E-type prostaglandins as EP 2 agonists, in general, and, in particular as ocular hypotensives. The PGE derivatives used in accordance with the invention are represented by the following formula I: wherein the hatched segment represents an α bonds, the solid triangle represents a β bond, the wavy segments represent α or β bond, dashed lines represent a double bond or a single bond, X is selected from the group consisting of hydrogen and halogen radicals, R 3 is heteroaryl or a substituted heteroaryl radical, R 1 and R 2 are independently selected from the group consisting of hydrogen or a lower alkyl radical having up to six carbon atoms, or a lower acyl radical having up to six carbon atoms, R is selected from the group consisting of CO 2 R 4 , CONR 4 2 , CH 2 OR 4 , CONR 4 SO 2 R 4 , P(O)(OR 4 ) and wherein R 4 is selected from the group consisting of H, phenyl and lower alkyl having from one to six carbon atoms and n is 0 or an integer of from 1 to 4.

  本发明涉及将E型前列腺素衍生物作为EP2激动剂的使用，一般而言，特别是作为眼压降低剂。根据本发明使用的PGE衍生物由以下公式I表示：其中虚线段表示α键，实三角形表示β键，波浪线段表示α或β键，虚线表示双键或单键，X选自氢和卤基团组成的群，R3为杂环芳基或取代的杂环芳基基团，R1和R2独立选自氢或具有最多六个碳原子的较低烷基基团，或具有最多六个碳原子的较低酰基基团，R选自CO2R4、CONR42、CH2OR4、CONR4SO2R4、P（O）（OR4）和其中R4选自H、苯基和具有从1到6个碳原子的较低烷基，n为0或1至4的整数。
• omega-Cycloalkyl 17-Heteroaryl Prostaglandin E2 Analogs as EP2-Receptor Agonists
  申请人：Burk M. Robert

  公开号：US20070219262A1

  公开（公告）日：2007-09-20

  The invention relates to the use of derivatives of E-type prostaglandins as EP 2 agonists, in general, and, in particular as ocular hypotensives. The PGE derivatives used in accordance with the invention are represented by the following formula I: wherein the hatched segment represents an α bonds, the solid triangle represents a β bond, the wavy segments represent α or β bond, dashed lines represent a double bond or a single bond, X is selected from the group consisting of hydrogen and halogen radicals, R 3 is heteroaryl or a substituted heteroaryl radical, R 1 and R 2 are independently selected from the group consisting of hydrogen or a lower alkyl radical having up to six carbon atoms, or a lower acyl radical having up to six carbon atoms, R is selected from the group consisting of CO 2 R 4 , CONR 4 2 , CH 2 OR 4 , CONR 4 SO 2 R 4 , P(O)(OR 4 ) and wherein R 4 is selected from the group consisting of H, phenyl and lower alkyl having from one to six carbon atoms and n is 0 or an integer of from 1 to 4.

  本发明涉及将E型前列腺素衍生物作为EP2激动剂的使用，一般而言，特别是作为眼压降低剂。根据本发明使用的PGE衍生物由以下式I表示：其中，阴影部分表示α键，实心三角形表示β键，波浪线表示α或β键，虚线表示双键或单键，X选自氢和卤基基团组成的群，R3是杂环芳基或取代杂环芳基基团，R1和R2分别选自氢或具有最多六个碳原子的低烷基基团或具有最多六个碳原子的低酰基基团，R选自CO2R4、CONR42、CH2OR4、CONR4SO2R4、P（O）（OR4）和其中R4选自H、苯基和具有一至六个碳原子的低烷基，n为0或1至4的整数。
• &OHgr;-cycloalkyl 17-heteroaryl prostaglandin E2 analogs as EP2-receptor agonists
  申请人：Allergan, Inc.

  公开号：US06710072B2

  公开（公告）日：2004-03-23

  The invention relates to the use of derivatives of E-type prostaglandins as EP2 agonists, in general, and, in particular as ocular hypotensives. The PGE derivatives used in accordance with the invention are represented by the following formula I: wherein the hatched segment represents an &agr; bonds, the solid triangle represents a &bgr; bond, the wavy segments represent &agr; or &bgr; bond, dashed lines represent a double bond or a single bond, X is selected from the group consisting of hydrogen and halogen radicals, R3 is heteroaryl or a substituted heteroaryl radical, R1 and R2 are independently selected from the group consisting of hydrogen or a lower alkyl radical having up to six carbon atoms, or a lower acyl radical having up to six carbon atoms, R is selected from the group consisting of CO2R4, CONR42, CH2OR4, CONR4SO2R4, P(O)(OR4) and wherein R4 is selected from the group consisting of H, phenyl and lower alkyl having from one to six carbon atoms and n is 0 or an integer of from 1 to 4.

  本发明涉及使用E型前列腺素衍生物作为EP2激动剂，一般地，特别地用作眼压降低剂。根据本发明使用的PGE衍生物由以下式子I表示：其中，虚线段表示α键，实心三角形表示β键，波浪线段表示α或β键，虚线表示双键或单键，X选择自氢和卤素基团组成的群，R3是杂环芳基或取代杂环芳基基团，R1和R2独立地选择自氢或具有最多六个碳原子的较低烷基基团或具有最多六个碳原子的较低酰基基团，R选择自CO2R4、CONR42、CH2OR4、CONR4SO2R4、P（O）（OR4），其中R4选择自H、苯基和具有从一到六个碳原子的较低烷基，n为0或从1到4的整数。
• Omega cycloalkyl 17-heteroaryl prostaglandin E2 analogs as EP2-receptor agonists
  申请人：Allergan, Inc.

  公开号：US07223746B2

  公开（公告）日：2007-05-29

  The invention relates to the use of derivatives of E-type prostaglandins as EP2 agonists, in general, and, in particular as ocular hypotensives. The PGE derivatives used in accordance with the invention are represented by the following formula I: wherein the hatched segment represents an α bonds, the solid triangle represents a β bond, the wavy segments represent α or β bond, dashed lines represent a double bond or a single bond, X is selected from the group consisting of hydrogen and halogen radicals, R3 is heteroaryl or a substituted heteroaryl radical, R1 and R2 are independently selected from the group consisting of hydrogen or a lower alkyl radical having up to six carbon atoms, or a lower acyl radical having up to six carbon atoms, R is selected from the group consisting of CO2R4, CONR42, CH2OR4, CONR4SO2R4, P(O)(OR4) and wherein R4 is selected from the group consisting of H, phenyl and lower alkyl having from one to six carbon atoms and n is 0 or an integer of from 1 to 4.

  本发明涉及将E型前列腺素衍生物作为EP2激动剂的使用，一般而言，特别是作为眼压降低剂的使用。根据本发明使用的PGE衍生物由以下式子I表示：其中，阴影部分代表α键，实心三角形代表β键，波浪线代表α或β键，虚线代表双键或单键，X选自氢和卤素基团的群体，R3是杂环芳基或取代杂环芳基基团，R1和R2独立地选自氢或具有高达六个碳原子的低烷基基团或具有高达六个碳原子的低酰基基团，R选自CO2R4，CONR42，CH2OR4，CONR4SO2R4，P（O）（OR4）和其中R4选自H，苯基和具有一至六个碳原子的低烷基，n为0或1至4的整数。