{3-[(1R,2S,3R)-3-Hydroxy-2-((S)-(E)-3-hydroxy-5-(benzothienyl)pent-1-enyl)-5-oxocyclopentylsulfanyl]propylsulfanyl}acetic acid | 478614-67-4

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: {3-[(1R,2S,3R)-3-Hydroxy-2-((S)-(E)-3-hydroxy-5-(benzothienyl)pent-1-enyl)-5-oxocyclopentylsulfanyl]propylsulfanyl}acetic acid
• 英文别名: 2-[3-[(1R,2S,3R)-2-[(E,3S)-5-(1-benzothiophen-2-yl)-3-hydroxypent-1-enyl]-3-hydroxy-5-oxocyclopentyl]sulfanylpropylsulfanyl]acetic acid
• CAS: 478614-67-4
• 化学式: C₂₃H₂₈O₅S₃
• 分子量: 480.67
• InChiKey: IKTFNHGDWRCEQB-ABISHOQQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  31
• 可旋转键数：
  12
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  174
• 氢给体数：
  3
• 氢受体数：
  8

文献信息

• Combination therapy for glaucoma treatment
  申请人：Burk M. Robert

  公开号：US20050209194A1

  公开（公告）日：2005-09-22

  A method is disclosed herein comprising administering a compound and a second drug to an eye of a mammal for the treatment of glaucoma or the reduction of intraocular pressure, said compound represented by the general formula I; wherein A, B, D, X, Y, Z, R 1 , R 3 and R 4 are as defined in the specification.

  本方法包括向哺乳动物的眼睛内给予化合物和第二种药物，用于治疗青光眼或降低眼内压，所述化合物由一般式I表示；其中A、B、D、X、Y、Z、R1、R3和R4如规范中所定义。
• 3, 7or3 and 7 thia or oxa prostanoic acid derivatives as agents for lowering intraocular pressure
  申请人：Allergan Sales, Inc.

  公开号：US20030027853A1

  公开（公告）日：2003-02-06

  The present invention provides a method of treating ocular hypertension or glaucoma which comprises administering to an animal having ocular hypertension or glaucoma therapeutically effective amount of a compound represented by the general formula I; 1 wherein hatched lines represent the &agr; configuration, a triangle represents the &bgr; configuration, a wavy line represents the &agr; configuration or the &bgr; configuration and a dotted line represents the presence or absence of a double bond; A and B are independently selected from the group consisting of O, S and CH 2 ; provided that at least one of A or B is S; D represents a covalent bond or CH 2 , O, S or NH; X is CO 2 R, CONR 2 , CH 2 OR, P(O)(OR) 2 , CONRSO 2 R SONR 2 or 2 Y is O, OH, OCOR 2 , halogen or cyano; Z is CH 2 or a covalent bond; R is H, or R 2 ; R 1 is H, R 2 , phenyl, or COR 2 ; R 2 is C 1 -C 5 lower alkyl or alkenyl and R 3 is benzothienyl, benzofuranyl, naphthyl or substituted derivatives thereof, wherein the substituents maybe selected from the group consisting of C 1 -C 5 alkyl, halogen, CF 3 , CN, NO 2 , NR 2 , CO 2 R and OR.

  本发明提供了一种治疗眼压增高或青光眼的方法，包括向患有眼压增高或青光眼的动物施用一定疗效量的一种化合物，其表示为通用公式I；其中，斜线代表α构型，三角形代表β构型，波浪线代表α构型或β构型，虚线代表双键的存在或不存在；A和B分别选择自O、S和CH2的组合；至少A或B中的一个是S；D代表共价键或 、O、S或NH；X为CO2R、CONR2、 OR、P(O)(OR)2、CONRSO2R、SONR2或2；Y为O、OH、OCOR2、卤素或氰基；Z为 或共价键；R为H或R2；R1为H、R2、苯基或COR2；R2为C1-C5低碳烷基或烯烃基，R3为苯并噻吩基、苯并呋喃基、萘基或其取代衍生物，其中取代基可选择自C1-C5烷基、卤素、CF3、CN、NO2、NR2、CO2R和OR的组合。
• Treatment of inflammatory bowel disease
  申请人：Burk M. Robert

  公开号：US20050222094A1

  公开（公告）日：2005-10-06

  A method is disclosed herein comprising administering a compound to a mammal suffering from an inflammatory bowel disease for the treatment of said disease, said compound represented by the general formula I; wherein A, B, D, X, Y, Z, R 1 , R 3 and R 4 are as defined in the specification.

  本文公开了一种方法，包括向患有炎症性肠病的哺乳动物施用一种化合物以治疗该疾病，所述化合物由一般式I表示；其中A、B、D、X、Y、Z、R1、R3和R4如规范中定义。
• EP4 agonists as agents for lowering intraocular pressure
  申请人：Allergan, Inc.

  公开号：US20040102499A1

  公开（公告）日：2004-05-27

  The present invention provides a method of treating ocular hypertension or glaucoma which comprises administering to an animal having ocular hypertension or glaucoma therapeutically effective amount of a compound which is a EP 4 agonist.

  本发明提供了一种治疗眼高压或青光眼的方法，包括向患有眼高压或青光眼的动物施用治疗有效量的EP4激动剂化合物。
• 3, 7 or 3 and 7 thia or oxa prostanoic acid derivatives as agents for lowering intraocular pressure
  申请人：Allergan Sales, Inc.

  公开号：US20030144254A1

  公开（公告）日：2003-07-31

  The present invention provides a method of treating ocular hypertension or glaucoma which comprises administering to an animal having ocular hypertension or glaucoma therapeutically effective amount of a compound represented by the general formula I; 1 wherein hatched lines represent the &agr; configuration, a triangle represents the &bgr; configuration, a wavy line represents the &agr; configuration or the &bgr; configuration and a dotted line represents the presence or absence of a double bond; A and B are independently selected from the group consisting of O, S and CH 2 ; provided that at least one of A or B is S; D represents a covalent bond or CH 2 , O, S or NH; X is CO 2 R, CONR 2 , CH 2 OR, P(O)(OR) 2 , CONRSO 2 R SONR 2 or 2 Y is O, OH, OCOR 2 , halogen or cyano; Z is CH 2 or a covalent bond; R is H or R 2 ; R 1 is H R 2 , phenyl, or COR 2 ; R 2 is C 1 -C 5 lower alkyl or alkenyl and R 3 is benzothienyl, benzofuranyl, naphthyl or substituted derivatives thereof, wherein the substituents maybe selected from the group consisting of C 1 -C 5 alkyl, halogen, CF 3 , CN, NO 2 , NR 2 , CO 2 R and OR.

  本发明提供了一种治疗眼压或青光眼的方法，该方法包括向患有眼压或青光眼的动物施用一种由通式I表示的化合物的治疗有效量；其中虚线代表α构型，三角形代表β构型，波浪线代表α构型或β构型，点线代表双键的存在或缺失；A和B独立选择自O、S和CH2的群体中；前提是A或B中至少有一个为S；D代表共价键或 、O、S或NH；X为CO2R、CONR2、 OR、P（O）（OR）2、CONRSO2R、SONR2或2；Y为O、OH、OCOR2、卤素或氰基；Z为 或共价键；R为H或R2；R1为H、R2、苯基或COR2；R2为C1-C5低烷基或烯基；R3为苯并噻吩基、苯并呋喃基、萘基或其取代衍生物，其中取代基可以选择自C1-C5烷基、卤素、CF3、CN、NO2、NR2、CO2R和OR的群体中。