7-Bromo-6-bromomethyl-1-(2,6-difluorobenzyl)-1,4-dihydro-4-oxoquinoline-3-carboxylic acid ethylester | 437980-04-6

• 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: 7-Bromo-6-bromomethyl-1-(2,6-difluorobenzyl)-1,4-dihydro-4-oxoquinoline-3-carboxylic acid ethylester
• 英文别名: ethyl 7-bromo-6-(bromomethyl)-1-[(2,6-difluorophenyl)methyl]-4-oxoquinoline-3-carboxylate
• CAS: 437980-04-6
• 化学式: C₂₀H₁₅Br₂F₂NO₃
• 分子量: 515.149
• InChiKey: UEFSXTXIWKDJTK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  28
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  46.6
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  7-Bromo-6-bromomethyl-1-(2,6-difluorobenzyl)-1,4-dihydro-4-oxoquinoline-3-carboxylic acid ethylester 、 N-甲基苄胺 以 水 、 乙酸乙酯 、 N,N-二异丙基乙胺 、 N,N-二甲基甲酰胺 为溶剂， 生成 6-(N-Benzyl-N-methylaminomethyl)-7-bromo-1-(2,6-difluorobenzyl)-1,4-dihydro-4-oxoquinoline-3-carboxylic acid ethylester
  参考文献：
  名称：

  7-Heterocyclyl quinoline and thieno(2,3-b)pyridine derivatives useful as antagonists of gonadotropin releasing hormone

  摘要：

  本发明涉及一种新型的7-杂环基喹啉和噻吩[2,3-b]吡啶衍生物，其通式为(I)或(II)，其中所有变量如本文所定义，包含它们的药物组合物以及它们在治疗与促性腺激素释放激素（GnRH）相关的疾病和症状中的用途。本发明的化合物是GnRH的拮抗剂，可用于治疗不孕症、前列腺癌、良性前列腺增生（BPH）以及作为避孕药。

  公开号：

  US20020123506A1
• 作为产物：
  描述：

  7-bromo-1-(2,6-difluorobenzyl)-1,4-dihydro-6-methyl-4-oxoquinoline-3-carboxylic acid ethyl ester 、 2-(2-cyanopropan-2-yldiazenyl)-2-methylpropanenitrile 在 N-溴代丁二酰亚胺(NBS) 作用下， 以 4-(dicyanomethylene)-2-methyl-6-(p-dimethylaminostyryl)-4H-pyran 为溶剂， 生成 7-Bromo-6-bromomethyl-1-(2,6-difluorobenzyl)-1,4-dihydro-4-oxoquinoline-3-carboxylic acid ethylester
  参考文献：
  名称：

  7-Heterocyclyl quinoline and thieno(2,3-b)pyridine derivatives useful as antagonists of gonadotropin releasing hormone

  摘要：

  本发明涉及一种新型的7-杂环基喹啉和噻吩[2,3-b]吡啶衍生物，其通式为(I)或(II)，其中所有变量如本文所定义，包含它们的药物组合物以及它们在治疗与促性腺激素释放激素（GnRH）相关的疾病和症状中的用途。本发明的化合物是GnRH的拮抗剂，可用于治疗不孕症、前列腺癌、良性前列腺增生（BPH）以及作为避孕药。

  公开号：

  US20020123506A1

文献信息

• 7-Heterocyclyl quinoline and thieno[2,3-b]pyridine derivatives useful as antagonists of gonadotropin releasing hormone
  申请人：——

  公开号：US20030216429A1

  公开（公告）日：2003-11-20

  The present invention is directed to novel 7-heterocyclyl quinoline and thieno[2,3-b]pyridine derivatives of the general formula (I) or (II) 1 wherein all variables are as herein defined, pharmaceutical compositions containing them and their use in the treatment of disorders and conditions associated with gonadotropin releasing hormone (GnRH). The compounds of the invention are antagonists of GnRH, useful in the treatment of the infertility, prostate cancer, benign prostate hyperplasia (BPH) and as contraceptives.

  本发明涉及一种新型7-杂环基喹啉和噻吩[2,3-b]吡啶衍生物，其通式为(I)或(II)1，其中所有变量如本文所定义，包含它们的药物组合物以及它们在治疗与促性腺激素释放激素（GnRH）相关的疾病和症状中的应用。本发明中的化合物是GnRH拮抗剂，可用于治疗不孕症、前列腺癌、良性前列腺增生（BPH）和避孕。
• 7-heterocyclyl quinoline and thieno[2,3-b]pyridine derivatives useful as antagonists of gonadotropin releasing hormone
  申请人：Ortho-McNeil Pharmaceutical, Inc.

  公开号：US06765011B2

  公开（公告）日：2004-07-20

  The present invention is directed to novel 7-heterocyclyl quinoline and thieno[2,3-b]pyridine derivatives of the general formula (I) or (II) wherein all variables are as herein defined, pharmaceutical compositions containing them and their use in the treatment of disorders and conditions associated with gonadotropin releasing hormone (GnRH). The compounds of the invention are antagonists of GnRH, useful in the treatment of the infertility, prostate cancer, benign prostate hyperplasia (BPH) and as contraceptives.

  本发明涉及新型的7-杂环基喹啉和噻吩[2,3-b]吡啶衍生物，其通式为(I)或(II)，其中所有变量均如本文所定义，包含它们的制药组合物以及它们在治疗与促性腺激素释放激素（GnRH）相关的疾病和病症方面的用途。本发明的化合物是GnRH的拮抗剂，可用于治疗不孕症、前列腺癌、良性前列腺增生（BPH）以及避孕。
• 7-heterocyclyl quinoline and thieno[2,3-b]yridine derivatives useful as antagonists of gonadotropin releasing hormone
  申请人：Ortho-McNeil Pharmaceutical, Inc.

  公开号：US06583153B2

  公开（公告）日：2003-06-24

  The present invention is directed to novel 7-heterocyclyl quinoline and thieno[2,3-b]pyridine derivatives of the general formula (I) or (II) wherein all variables are as herein defined, pharmaceutical compositions containing them and their use in the treatment of disorders and conditions associated with gonadotropin releasing hormone (GnRH). The compounds of the invention are antagonists of GnRH, useful in the treatment of the infertility, prostate cancer, benign prostate hyperplasia (BPH) and as contraceptives.

  本发明涉及一种新型的7-杂环基喹啉和噻吩[2,3-b]吡啶衍生物，其通式为(I)或(II)，其中所有变量如本文所定义，包含它们的制药组合物以及它们在治疗与促性腺激素释放激素（GnRH）相关的疾病和病况中的应用。本发明的化合物是GnRH拮抗剂，在治疗不孕症、前列腺癌、良性前列腺增生（BPH）和作为避孕药物方面有用。
• Thieno(2,3-b)pyridine derivatives useful as antagonists of gonadotropin releasing hormone
  申请人：Ortho-McNeil Pharmaceutical, Inc.

  公开号：EP1520855A1

  公开（公告）日：2005-04-06

  The present invention is directed to novel 7-heterocyclyl quinoline and thieno[2,3-b]pyridine derivatives of the general formula (I) or (II), wherein all variables are as herein defined, pharmaceutical compositions containing them and their use in the treatment of disorders and conditions associated with gonadotropin releasing hormone (GnRH). The compounds of the invention are antagonists of GnRH, useful in the treatment of the infertility, prostate cancer, benign prostate hyperplasia (BPH) and as contraceptives.

  本发明涉及通式(I)或(II)的新型 7-杂环喹啉和噻吩并[2,3-b]吡啶衍生物（其中所有变量均如本文所定义）、含有它们的药物组合物以及它们在治疗与促性腺激素释放激素（GnRH）相关的疾病和病症中的用途。本发明的化合物是 GnRH 的拮抗剂，可用于治疗不孕症、前列腺癌、良性前列腺增生症（BPH）和避孕。
• 7-HETEROCYCLYL QUINOLINE AND THIENO 2,3-B]PYRIDINE DERIVATIVES USEFUL AS ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE
  申请人：Ortho-McNeil Pharmaceutical, Inc.

  公开号：EP1345907A2

  公开（公告）日：2003-09-24