4-methoxy-2-{[1-({[3-(4-methoxyphenyl)propyl]amino}carbonyl)cyclopentyl]-methyl}butanoic acid | 465527-76-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4-methoxy-2-{[1-({[3-(4-methoxyphenyl)propyl]amino}carbonyl)cyclopentyl]-methyl}butanoic acid
• 英文别名: I+/--(2-Methoxyethyl)-1-[[[3-(4-methoxyphenyl)propyl]amino]carbonyl]cyclopentanepropanoic acid；4-methoxy-2-[[1-[3-(4-methoxyphenyl)propylcarbamoyl]cyclopentyl]methyl]butanoic acid
• CAS: 465527-76-8
• 化学式: C₂₂H₃₃NO₅
• 分子量: 391.508
• InChiKey: RYJNYIUWPGRISX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  28
• 可旋转键数：
  12
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  84.9
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  1-[-2-(tert-Butoxycarbonyl)-4-methoxybutyl]Cyclopentanecarboxylic Acid 在 N-甲基吗啉 、 1-羟基苯并三唑 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 12.0h， 生成 4-methoxy-2-{[1-({[3-(4-methoxyphenyl)propyl]amino}carbonyl)cyclopentyl]-methyl}butanoic acid
  参考文献：
  名称：

  Novel selective inhibitors of neutral endopeptidase for the treatment of female sexual arousal disorder

  摘要：

  A series of substituted glutaramides were synthesised using Candoxatrilat 1 as a lead and evaluated for potency against neutral endopeptidase (NEP) as a potential treatment for female sexual arousal disorder (FSAD). In this paper, we describe studies in which we were able to increase NEP activity substantially over the levels reported for previous compounds from this programme by appropriate substitution in both the P'(1) and P'(2) regions. Optimisation led to the 4-chlorophenpropylamide S-30 which was selected as a candidate for further study. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2006.10.002

文献信息

• N-phenpropylcuclopentyl-substituted glutaramide derivatives as inhibitors of neutral endopeptidase
  申请人：——

  公开号：US20030105132A1

  公开（公告）日：2003-06-05

  The invention relates to compounds of formula (I) for treating for example sexual dysfunction, wherein R 1 is optionally substituted C 1-6 alkyl, optionally substituted carbocyclyl, optionally substituted heterocyclyl, hydrogen, C 1-6 alkoxy, —NR 2 R 3 or —NR 4 SO 2 R 5 ; X is the linkage —(CH 2 ) n — or —(CH 2 ) q —O— (wherein Y is attached to the oxygen); wherein one or more hydrogen atoms in linkage X may be replaced independently by C 1-4 alkoxy; hydroxy; hydroxy(C 1-3 alkyl); C 3-7 cycloalkyl; carbocyclyl; heterocyclyl; or by C 1-4 alkyl optionally substituted by one or more fluoro or phenyl groups; n is 3, 4, 5, 6 or 7; and q is 2, 3, 4, 5 or 6; and Y is phenyl or pyridyl, each of which may be substituted; or two R 8 groups on adjacent carbon atoms together with the interconnecting carbon atoms may form a fused optionally substituted 5 - or 6 -membered carbocyclic or heterocyclyic ring. 1

  该发明涉及用于治疗性功能障碍的化合物(I)的公式，其中R1是可选择取代的C1-6烷基，可选择取代的碳环烷基，可选择取代的杂环烷基，氢，C1-6烷氧基，—NR2R3或—NR4SO2R5；X是连接基—(CH2)n—或—(CH2)q—O—（其中Y连接到氧原子）；其中连接基X中的一个或多个氢原子可以独立地被C1-4烷氧基，羟基，羟基(C1-3烷基)，C3-7环烷基，碳环烷基，杂环烷基或可选择取代的一个或多个氟或苯基的C1-4烷基替代；n为3、4、5、6或7；q为2、3、4、5或6；Y为苯基或吡啶基，每个基都可以被取代；或相邻碳原子上的两个R8基连同相互连接的碳原子可以形成一个可选择取代的5-或6-成员碳环或杂环环。
• [EN] N-PHENPROPYLCYCLOPENTYL-SUBSTITUTED GLUTARAMIDE DERIVATIVES AS NEP INHIBITORS FOR FSAD<br/>[FR] DERIVES DE GUATARAMIDE N-PHENPROPYLCYCLOPENTYL-SUBSTITUES UTILISES COMME INHIBITEURS NEP POUR FSAD
  申请人：PFIZER LTD

  公开号：WO2002079143A1

  公开（公告）日：2002-10-10

  The invention relates to compounds of formula (I) for treating for example sexual dysfunction, wherein R1 is optionally substituted C¿1-6?alkyl, optionally substituted carbocyclyl, optionally substituted heterocyclyl, hydrogen, C1-6alkoxy, -NR2 R?3¿ or - NR4SO2R5; X is the linkage -(CH¿2?)n- or -(CH2)q-O- (wherein Y is attached to the oxygen); wherein one or more hydrogen atoms in linkage X may be replaced independently by C1-4alkoxy; hydroxy; hydroxy(C1-3alkyl); C3-7cycloalkyl; carbocyclyl; heterocyclyl; or by C1-4alkyl optionally substituted by one or more fluoro or phenyl groups; n is 3, 4, 5, 6, or 7; and q is 2, 3, 4, 5 or 6; and Y is phenyl or pyridyl, each of which may be substituted; or two R?8¿ groups on adjacent carbon atoms together with the interconnecting carbon atoms may form a fused optionally substituted 5- or 6-membered carbocyclic or heterocyclyic ring.

  本发明涉及化合物公式（I），用于治疗例如性功能障碍，其中R1是可选取代的C1-6烷基，可选取代的碳环基，可选取代的杂环基，氢，C1-6烷氧基，-NR2R3或-NR4SO2R5；X是连接基-(CH2)n-或-(CH2)q-O-（其中Y连接到氧原子）；其中连接基X中的一个或多个氢原子可以独立地被C1-4烷氧基，羟基，羟基（C1-3烷基），C3-7环烷基，碳环基，杂环基或C1-4烷基替代，可选地被一个或多个氟或苯基取代；n为3、4、5、6或7；q为2、3、4、5或6；Y为苯基或吡啶基，每个基团都可以被取代；或相邻碳原子上的两个R8基团连同连接的碳原子可以形成螺合的、可选取代的5-或6元环碳环或杂环。
• N-phenpropylcyclopentyl-substituted glutaramide derivatives as inhibitors of neutral endopeptidase
  申请人：Pfizer Inc

  公开号：US20040106611A1

  公开（公告）日：2004-06-03

  The invention relates to compounds of formula (I) for treating for example sexual dysfunction, wherein R 1 is optionally substituted C 1-6 alkyl, optionally substituted carbocyclyl, optionally substituted heterocyclyl, hydrogen, C 1-6 alkoxy, —NR 2 R 3 or —NR 4 SO 2 R 5 ; X is the linkage —(CH 2 ) n — or —(CH 2 ) q —O— (wherein Y is attached to the oxygen); wherein one or more hydrogen atoms in linkage X may be replaced independently by C 1-4 alkoxy; hydroxy; hydroxy(C 1-3 alkyl); C 3-7 cycloalkyl; carbocyclyl; heterocyclyl; or by C 1-4 alkyl optionally substituted by one or more fluoro or phenyl groups; n is 3, 4, 5, 6 or 7; and q is 2, 3, 4, 5 or 6; and Y is phenyl or pyridyl, each of which may be substituted; or two R 8 groups on adjacent carbon atoms together with the interconnecting carbon atoms may form a fused optionally substituted 5- or 6-membered carbocyclic or heterocyclyic ring. 1

  本发明涉及式（I）的化合物，用于治疗性功能障碍，其中R1是可选取代的C1-6烷基，可选取代的碳环烷基，可选取代的杂环烷基，氢，C1-6烷氧基，-NR2R3或-NR4SO2R5; X是连接-（CH2）n-或-（CH2）q-O-的链（其中Y连接到氧）;其中链X中的一个或多个氢原子可以独立地被C1-4烷氧基，羟基，羟基（C1-3烷基），C3-7环烷基，碳环烷基，杂环烷基或C1-4烷基取代，可选取代一个或多个氟或苯基; n为3、4、5、6或7; q为2、3、4、5或6; Y为苯基或吡啶基，每个基团均可取代; 或相邻碳原子上的两个R8基团与连接碳原子一起可以形成螺合的可选取代的5-或6-成员的碳环或杂环烷基环。
• N-PHENPROPYLCYCLOPENTYL-SUBSTITUTED GLUTARAMIDE DERIVATIVES AS NEP INHIBITORS FOR FSAD
  申请人：Pfizer Limited

  公开号：EP1373192A1

  公开（公告）日：2004-01-02
• US6660756B2
  申请人：——

  公开号：US6660756B2

  公开（公告）日：2003-12-09