PF-04859989 | 403860-64-0

• 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: PF-04859989
• 英文别名: 3-amino-1-methyl-3,4-dihydro-1H-quinolin-2-one；3-Amino-1-methyl-hydrocarbostyril；3-Amino-1-methyl-3,4-dihydroquinolin-2(1H)-one；3-amino-1-methyl-3,4-dihydroquinolin-2-one
• CAS: 403860-64-0
• 化学式: C₁₀H₁₂N₂O
• 分子量: 176.218
• InChiKey: YZYJYCPYUXPNPE-UHFFFAOYSA-N

物化性质

• 沸点：
  398.9±42.0 °C(Predicted)
• 密度：
  1.164±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  46.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5-氟吲哚-2-甲酸 、 PF-04859989 在 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 作用下， 生成 5-fluoro-N-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-1H-indole-2-carboxamide
  参考文献：
  名称：

  Novel 3,4-Dihydroquinolin-2(1 H )-one inhibitors of human glycogen phosphorylase a

  摘要：

  The preparation of a series of substituted indoles coupled to six- and seven-membered cyclic lactams is described and their role as human glycogen phosphorylase a inhibitors discussed. The SAR of the indole moiety and lactam ring are presented. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.09.022
• 作为产物：
  描述：

  tert-butyl (2-oxo-1,2,3,4-tetrahydroquinolin-3-yl)carbamate 在 乙酰氯 、 sodium t-butanolate 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 1.5h， 生成 PF-04859989
  参考文献：
  名称：

  Novel 3,4-Dihydroquinolin-2(1 H )-one inhibitors of human glycogen phosphorylase a

  摘要：

  The preparation of a series of substituted indoles coupled to six- and seven-membered cyclic lactams is described and their role as human glycogen phosphorylase a inhibitors discussed. The SAR of the indole moiety and lactam ring are presented. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.09.022

文献信息

• Bicyclic pyrrolyl amides as glucogen phosphorylase inhibitors
  申请人：——

  公开号：US20030232875A1

  公开（公告）日：2003-12-18

  Heterocyclic amide derivatives, of formula (I): wherein —X-Y-Z- is selected from —S—CR 4 ═CR 5 —, —CR 4 ═CR 5 —S—, —O—CR 4 ═CR 5 —, —CR 4 ═CR 5 —O—, —N═CR 4 —S—, —S—CR 4 ═N—, —NR 6 —CR 4 ═CR 5 — and —CR 4 ═CR 5 —NR 6 —; or a pharmaceutically acceptable salt or an in vivo hydrolysable ester thereof; (with provisos); possess glycogen phosphorylase inhibitory activity and accordingly have value in the treatment of disease states associated with increased glycogen phosphorylase activity. Processes for the manufacture of said heterocyclic amide derivatives and pharmaceutical compositions containing them are described.

  杂环酰胺衍生物的化学式（I）：其中—X-Y-Z-选择自—S—CR4═CR5—，—CR4═CR5—S—，—O—CR4═CR5—，—CR4═CR5—O—，—N═CR4—S—，—S—CR4═N—，—NR6—CR4═CR5—和—CR4═CR5—NR6—；或其药学上可接受的盐或体内可水解酯；（附带条件）；具有糖原磷酸化酶抑制活性，因此在治疗与糖原磷酸化酶活性增加相关的疾病状态中具有价值。描述了制备所述杂环酰胺衍生物和含有它们的药物组合物的方法。
• Novel 3,4-Dihydroquinolin-2(1 H )-one inhibitors of human glycogen phosphorylase a
  作者：Keith G. Rosauer、Anthony K. Ogawa、Chris A. Willoughby、Kenneth P. Ellsworth、Wayne M. Geissler、Robert W. Myers、Qiaolin Deng、Kevin T. Chapman、Georgianna Harris、David E. Moller

  DOI：10.1016/j.bmcl.2003.09.022

  日期：2003.12

  The preparation of a series of substituted indoles coupled to six- and seven-membered cyclic lactams is described and their role as human glycogen phosphorylase a inhibitors discussed. The SAR of the indole moiety and lactam ring are presented. (C) 2003 Elsevier Ltd. All rights reserved.