6-{2-[5-chloro-2-(benzyloxy)-phenyl]-5-methyl-pyrrol-1-yl}-1H-indole-4-carboxylic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 6-{2-[5-chloro-2-(benzyloxy)-phenyl]-5-methyl-pyrrol-1-yl}-1H-indole-4-carboxylic acid
• 英文别名: 6-{2-[5-chloro-2-(benzyloxy)phenyl]-5-methyl-pyrrol-1-yl}-1H-indole-4-carboxylic acid；6-{2-[5-Chloro-2-(benzyloxy)-phenyl]-5-methyl-pyrrol-1-yl}-1H-indole-4carboxylic acid；6-[2-(5-chloro-2-phenylmethoxyphenyl)-5-methylpyrrol-1-yl]-1H-indole-4-carboxylic acid
• 化学式: C₂₇H₂₁ClN₂O₃
• 分子量: 456.928
• InChiKey: BEHWVVDVWLWXCI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  33
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  67.2
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-(苄氧基)-5-氯苯甲醛 在 对甲苯磺酸 sodium hydroxide 、 水 、 3-乙基-5-(2-羟乙基)-4-甲基噻唑溴化物 、 三乙胺 作用下， 以 N-甲基吡咯烷酮 、 乙醇 为溶剂， 反应 5.2h， 生成 6-{2-[5-chloro-2-(benzyloxy)-phenyl]-5-methyl-pyrrol-1-yl}-1H-indole-4-carboxylic acid
  参考文献：
  名称：

  [EN] PYRROLE COMPOUNDS FOR THE TREATMENT OF PROSTAGLANDIN MEDIATED DISEASES
  [FR] COMPOSES PYRROLIQUES DESTINES AU TRAITEMENT DE MALADIES INDUITES PAR PROSTAGLANDINE

  摘要：

  式(I)的化合物或其药学上可接受的衍生物：其中A、R1、R2a、R2b、Rx、R8和R9如规范中所定义，一种制备这种化合物的方法，包括这种化合物的药物组合物以及这种化合物在医学中的用途，特别是它们在治疗前列腺素介导的疾病，如疼痛、炎症、免疫、骨骼、神经退行性或肾脏疾病中的用途。

  公开号：

  WO2003101959A1

文献信息

• Pyrrole compounds for the treatment of prostaglandine mediated diseases
  申请人：Giblin Martin Paul Gerard

  公开号：US20070082912A1

  公开（公告）日：2007-04-12

  Compounds of formula (I) or a pharmaceutically acceptable derivative thereof: wherein A, R 1 , R 2a , R 2b , R x , R 8 , and R 9 are as defined in the specification, a process for the preparation of such compounds, pharmaceutical compositions comprising such compounds and the use of such compounds in medicine.

  化合物的公式（I）或其药学上可接受的衍生物： 其中A，R1，R2a，R2b，Rx，R8和R9如规范中所定义，制备这种化合物的方法，包含这种化合物的药物组合物以及这种化合物在医学上的使用。
• 1,5-Biaryl pyrrole derivatives as EP1 receptor antagonists. Structure–activity relationships of 6-substituted and 5,6-disubstituted benzoic acid derivatives
  作者：Adrian Hall、Susan H. Brown、Iain P. Chessell、Anita Chowdhury、Nicholas M. Clayton、Tanya Coleman、Gerard M.P. Giblin、Beverley Hammond、Mark P. Healy、Matthew R. Johnson、Ann Metcalf、Anton D. Michel、Alan Naylor、Riccardo Novelli、David J. Spalding、Jennifer Sweeting、Lisa Winyard

  DOI：10.1016/j.bmcl.2006.11.059

  日期：2007.2

  Herein we describe the SAR of 1,5-biaryl pyrrole derivatives, with substituents in the 6-position of the benzoic acid moiety, as EP1 receptor antagonists. Substitution at this position was well tolerated and led to the identification of several analogues with high affinity for the EP1 receptor that displayed good efficacy in the established FCA model of inflammatory pain. Furthermore, several analogues were prepared which combined substitution at the 5- and 6-positions as well as derivatives with an aromatic ring fused to the 5- and 6-positions. (c) 2006 Elsevier Ltd. All rights reserved.
• PYRROLE COMPOUNDS FOR THE TREATMENT OF PROSTAGLANDIN MEDIATED DISEASES
  申请人：GLAXO GROUP LIMITED

  公开号：EP1509499A1

  公开（公告）日：2005-03-02
• Treatment of BPH
  申请人：Newgreen Thomas Donald

  公开号：US20050020646A1

  公开（公告）日：2005-01-27

  The present invention relates to the use of EP1 receptor antagonists for the treatment of lower urinary tract symptoms (LUTS) associated with benign prostatic hyperplasia (BPH). The invention also includes screening methods to identify compounds useful for the treatment of LUTS associated with BPH.
• [EN] EP1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF BENIGN PROSTATIC HYPERTROPHY AND SCREENING METHOD<br/>[FR] ANTAGONISTES DU RECEPTEUR DE EP1 POUR LE TRAITEMENT DE L'HYPERTROPHIE BENIGNE DE LA PROSTATE EST ET DE DEPISTAGE
  申请人：PFIZER LTD

  公开号：WO2005010534A1

  公开（公告）日：2005-02-03

  The present invention relates to the use of EP1 receptor antagonists for the treatment of lower urinary tract symptoms (LUTS) associated with benign prostatic hyperplasia (BPH). The invention also includes screening methods to identify compounds useful for the treatment of LUTS associated with BPH.