5-(3-((1R,2R,3R,5R)-5-chloro-2-((Z)-2-(2,6-dichloropyridin-4-yl)vinyl)-3-hydroxycyclopentyl)propyl)thiophene-2-carboxylic acid | 1097733-51-1

• 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
• 英文名称: 5-(3-((1R,2R,3R,5R)-5-chloro-2-((Z)-2-(2,6-dichloropyridin-4-yl)vinyl)-3-hydroxycyclopentyl)propyl)thiophene-2-carboxylic acid
• 英文别名: 5-[3-[(1R,2R,3R,5R)-5-chloro-2-[(Z)-2-(2,6-dichloropyridin-4-yl)ethenyl]-3-hydroxycyclopentyl]propyl]thiophene-2-carboxylic acid
• CAS: 1097733-51-1
• 化学式: C₂₀H₂₀Cl₃NO₃S
• 分子量: 460.809
• InChiKey: SOPHKEPUTWPCEL-ASAKMOIOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  28
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  98.7
• 氢给体数：
  2
• 氢受体数：
  5

文献信息

• [EN] THERAPEUTIC SUBSTITUTED CYCLOPENTANES FOR REDUCING INTRAOCULAR PRESSURE<br/>[FR] CYCLOPENTANES THÉRAPEUTIQUES SUBSTITUÉS POUR RÉDUIRE LA PRESSION INTRAOCULAIRE
  申请人：ALLERGAN INC

  公开号：WO2009006370A1

  公开（公告）日：2009-01-08

  Disclosed herein are compounds having formula (I) wherein a dashed line represents the presence or absence of a bond; Y is an organic acid functional group, or an amide or ester thereof; or Y is hydroxymethyl or an ether thereof; or Y is a tetrazolyl functional group; A is -(CH2)6-, cis -CH2CH=CH-(CH2)3-, or -CH2C=C-(CH2)3-, wherein 1 or 2 carbon atoms may be replaced by S or O; or A is -(CH2)m-Ar-(CH2)o- wherein Ar is interarylene or heterointerarylene, the sum of m and o is 1, 2, 3, or 4, and wherein 1 -CH2- may be replaced by S or O, and 1 -CH2-CH2- may be replaced by -CH=CH- or -C≡C-; U1 and U2 are independently selected from -H, =O, -OH, -F, -Cl, and -CN; and B is aryl or heteroaryl, for use as acular hypotensive agent.

  本文披露了具有以下化学式（I）的化合物，其中虚线表示键的存在或缺失；Y是有机酸官能团，或其酰胺或酯；或Y是羟甲基或其醚；或Y是四唑基官能团；A是-(CH2)6-，顺式- CH=CH-( )3-，或- C=C-( )3-，其中1或2个碳原子可以被S或O取代；或A是-( )m-Ar-( )o-，其中Ar是间芳基或杂环间芳基，m和o的总和为1、2、3或4，其中1个- -可以被S或O取代，1个- - -可以被-CH=CH-或-C≡C-取代；U1和U2独立选择自-H，=O，-OH，-F，-Cl和-CN；B是芳基或杂芳基，用作眼压降低剂。
• THERAPEUTIC SUBSTITUTED CYCLOPENTANES FOR REDUCING INTRAOCULAR PRESSURE
  申请人：ALLERGAN, INC.

  公开号：EP2170345A1

  公开（公告）日：2010-04-07
• THERAPEUTIC SUBSTITUTED CYCLOPENTANES
  申请人：ALLERGAN, INC.

  公开号：US20170144999A1

  公开（公告）日：2017-05-25

  Disclosed herein are compounds having formula (I) wherein a dashed line represents the presence or absence of a bond; Y is an organic acid functional group, or an amide or ester thereof; or Y is hydroxymethyl or an ester thereof; or Y is a tetrazolyl functional group; A is —(CH 2 ) 6 —, cis-CH 2 CH═CH—(CH 2 ) 3 —, or —CH 2 C═C—(CH 2 ) 3 —, wherein 1 or 2 carbon atoms may be replaced by S or O; or A is —(CH 2 ) m —Ar—(CH 2 ) o —, wherein Ar is interarylene or heterointerarylene, the sum of m and o is 1, 2, 3, or 4, and wherein 1 —CH 2 — may be replaced by S or O, and 1 —CH 2 —CH 2 — may be replaced by —CH═CH— or —C≡C—; U 1 and U 2 are independently selected from —H, ═O, —OH, —F, —Cl, and —CN; and B is aryl or heteroaryl, for use as acular hypotensive agent.
• US9591935B2
  申请人：——

  公开号：US9591935B2

  公开（公告）日：2017-03-14
• US9765065B2
  申请人：——

  公开号：US9765065B2

  公开（公告）日：2017-09-19