1-(2,6-Difluorobenzyl)-2,6-dimethyl-3-(2-fluoro-3-methoxyphenyl)-5-[N-{2-(2-pyridyl)ethyl}-N-methylaminomethyl]-4-pyridone | 497954-66-2

• 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: 1-(2,6-Difluorobenzyl)-2,6-dimethyl-3-(2-fluoro-3-methoxyphenyl)-5-[N-{2-(2-pyridyl)ethyl}-N-methylaminomethyl]-4-pyridone
• 英文别名: 1-[(2,6-Difluorophenyl)methyl]-3-(2-fluoro-3-methoxyphenyl)-2,6-dimethyl-5-[[methyl(2-pyridin-2-ylethyl)amino]methyl]pyridin-4-one
• CAS: 497954-66-2
• 化学式: C₃₀H₃₀F₃N₃O₂
• 分子量: 521.582
• InChiKey: DJWDWZPXKRANKX-UHFFFAOYSA-N

物化性质

• 沸点：
  628.5±55.0 °C(Predicted)
• 密度：
  1.231±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  38
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  45.7
• 氢给体数：
  0
• 氢受体数：
  8

文献信息

• Gonadotropin-releasing hormone receptor antagonists and methods relating thereto
  申请人：Neurocrine Biosciences, Inc.

  公开号：US20030119878A1

  公开（公告）日：2003-06-26

  GnRH receptor antagonists are disclosed which have utility in the treatment of a variety of sex-hormone related conditions in both men and women. The compounds of this invention have the structure: 1 wherein A, R 1 , R 2 , R 3a , R 3b , R 4 , R 5 , R 6 , R 7 and n are as defined herein, including stereoisomers, prodrugs and pharmaceutically acceptable salts thereof. Also disclosed are compositions containing a compound of this invention in combination with a pharmaceutically acceptable carrier, as well as methods relating to the use thereof for antagonizing gonadotropin-releasing hormone in a subject in need thereof.

  GnRH受体拮抗剂被披露，对男性和女性的各种性激素相关疾病的治疗具有实用性。本发明的化合物具有以下结构：其中A、R1、R2、R3a、R3b、R4、R5、R6、R7和n如本文中所定义，包括立体异构体、前药和其药用盐。还披露了含有本发明化合物的组合物，与药用载体结合，以及与之相关的用于拮抗需要者中的促性腺激素释放激素的方法。
• SUBSTITUTED PYRIDIN-4-ONES AND THEIR USE AS GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS
  申请人：Neurocrine Biosciences, Inc.

  公开号：EP1411945A1

  公开（公告）日：2004-04-28
• US6939883B2
  申请人：——

  公开号：US6939883B2

  公开（公告）日：2005-09-06
• [EN] SUBSTITUTED PYRIDIN-4-ONES AND THEIR USE AS GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS.<br/>[FR] PYRIDIN-4-ONES SUBSTITUEES ET LEUR UTILISATION EN TANT QU'ANTAGONISTES DU RECEPTEUR DE L'HORMONE DE LIBERATION DE LA GONADOTROPHINE
  申请人：NEUROCRINE BIOSCIENCES INC

  公开号：WO2003013528A1

  公开（公告）日：2003-02-20

  GnRH receptor antagonists of formula (I) are disclosed which have utility in the treatment of a variety of sex-hormone related conditions in both men and women. Also disclosed are compositions containing a compound of this invention in combination with a pharmaceutically acceptable carrier, as well as methods relating to the use thereof for antagonizing gonadotropin-releasing hormone in a subject in need thereof, including stereosomers, prodrugs and pharmaceutically acceptable salts thereof, wherein: A is O or a bond; n is 1, 2, 3 or 4; R1 and R2 are the same or different and independently hydrogen, alkyl, substituted alkyl, aryl, substituted aryl, arylalkyl, substituted arylalkyl, heterocycle, substituted heterocycle, heterocyclealkyl, susbstituted heterocyclealkyl, -C(R8)(=NR9) or -C(NR10R11)(=NR9); or R1 and R2 taken together with the nitrogen atom to which they are attached form a heterocycle or a substituted heterocycle; R3a and R3b are the same or different and, at each occurrence, independently hydrogen, alkyl, substituted alkyl, alkoxy, alkylthio, alkylamino, aryl, substituted aryl, arylakyl, substituted arylalkyl, heterocycle, substituted heterocycle, heterocyclealkyl, substituted heterocyclealkyl, -COOR12 or -CONR10R11; or R3ab and R3b taken together with the carbon atom to which they are attached form a homocycle, substituted homocycle, heterocycle or substituted heterocycle; or R3a and the carbon to which it is attached taken together with R1 and the nitrogen to which it is attached form a heterocycle or substituted heterocycle; R4 is hydrogen, alkyl or substituted alkyl; R5 is arylalkyl, substituted arylalkyl, heteroarylalkyl or substituted heteroalalkyl; R6 is aryl, substituted aryl, heteroaryl or substituted heteroaryl; R7 is hydrogen, alkyl or substituted alkyl; R8, R9, R10 and R11 are the same or different and, at each occurrence, independently hydrogen, alkyl, substituted alkyl, aryl, substituted aryl, arylalkyl, substituted arylalkyl, heterocycle, substituted heterocycle, heterocyclealkyl or substituted heterocyclealkyl, and R12 is hydrogen, alkyl or substituted alkyl.