2-{2-[6-amino-3-(3-bromophenyl)-7-chloro-2-oxo-1,2-dihydroquinolin-4-yloxy]-ethyl}-piperidine-1-carboxylic acid tert-butyl ester | 199942-80-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 2-{2-[6-amino-3-(3-bromophenyl)-7-chloro-2-oxo-1,2-dihydroquinolin-4-yloxy]-ethyl}-piperidine-1-carboxylic acid tert-butyl ester
• 英文别名: tert-butyl 2-[2-[[6-amino-3-(3-bromophenyl)-7-chloro-2-oxo-1H-quinolin-4-yl]oxy]ethyl]piperidine-1-carboxylate
• CAS: 199942-80-8
• 化学式: C₂₇H₃₁BrClN₃O₄
• 分子量: 576.918
• InChiKey: OQUUQGBIXPTODR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  36
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  93.9
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-{2-[6-amino-3-(3-bromophenyl)-7-chloro-2-oxo-1,2-dihydroquinolin-4-yloxy]-ethyl}-piperidine-1-carboxylic acid tert-butyl ester 在 吡啶 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 生成 1-[3-(3-Bromophenyl)-7-chloro-2-oxo-4-(2-piperidin-2-yl-ethoxy)-1,2-dihydroquinolin-6-yl]-3-cyclopropyl urea
  参考文献：
  名称：

  Quinolones as gonadotropin releasing hormone (GnRH) antagonists: simultaneous optimization of the C(3)-aryl and C(6)-substituents

  摘要：

  A series of 3-arylquinolones was prepared and evaluated for their ability to act as gonadotropin releasing hormone (GnRH) antagonists. A variety of substitution patterns of the 3-aryl substituent are described. The 3,4,5-trimethylphenyl substituent (23h) was found to he optimal. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00318-8
• 作为产物：
  描述：

  2-{2-[3-(3-bromophenyl)-7-chloro-6-nitro-2-oxo-1,2-dihydroquinolin-4-yloxy]-ethyl}-piperidine-1-carboxylic acid tert-butyl ester 在 三氯化铁 、 肼 作用下， 以 甲醇 为溶剂， 生成 2-{2-[6-amino-3-(3-bromophenyl)-7-chloro-2-oxo-1,2-dihydroquinolin-4-yloxy]-ethyl}-piperidine-1-carboxylic acid tert-butyl ester
  参考文献：
  名称：

  Quinolones as gonadotropin releasing hormone (GnRH) antagonists: simultaneous optimization of the C(3)-aryl and C(6)-substituents

  摘要：

  A series of 3-arylquinolones was prepared and evaluated for their ability to act as gonadotropin releasing hormone (GnRH) antagonists. A variety of substitution patterns of the 3-aryl substituent are described. The 3,4,5-trimethylphenyl substituent (23h) was found to he optimal. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00318-8

文献信息

• Antagonists of gonadotropin releasing hormone
  申请人：Merck & Co., Inc.

  公开号：US06147088A1

  公开（公告）日：2000-11-14

  There are disclosed compounds of formula (I) and pharmaceutical acceptable salts thereof which are useful as antagonists of GnRH and as such may be useful for the treatment of a variety of sex-hormone related conditions. ##STR1##

  公式（I）的化合物及其药用盐被披露，可用作GnRH拮抗剂，因此可能对多种与性激素相关的疾病的治疗有用。
• ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE
  申请人：MERCK & CO., INC.

  公开号：EP0901471A1

  公开（公告）日：1999-03-17
• EP0901471A4
  申请人：——

  公开号：EP0901471A4

  公开（公告）日：1999-08-25
• US6147088A
  申请人：——

  公开号：US6147088A

  公开（公告）日：2000-11-14
• [EN] ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE<br/>[FR] ANTAGONISTES DE LA GONADOLIBERINE
  申请人：MERCK & CO., INC.

  公开号：WO1997044321A1

  公开（公告）日：1997-11-27

  (EN) There are disclosed compounds of formula (I) and pharmaceutically acceptable salts thereof which are useful as antagonists of GnRH and as such may be useful for the treatment of a variety of sex-hormone related conditions in both men and women.(FR) Composés de formule (I) et leurs sels pharmaceutiquement acceptables, utiles comme antagonistes de la GnRH et pouvant en tant que tels être utilisés pour le traitement d'une variété d'états associés à l'hormone sexuelle tant chez l'homme que chez la femme.