benzyl N-[(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]carbamate | 193533-15-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: benzyl N-[(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]carbamate
• CAS: 193533-15-2
• 化学式: C₁₆H₁₆N₄O₂
• 分子量: 296.329
• InChiKey: NBSQMOWWMYIYNK-UHFFFAOYSA-N

物化性质

• 密度：
  1.30±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  79.9
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  benzyl N-[(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]carbamate 在 palladium on activated charcoal 氢气 作用下， 以 甲醇 为溶剂， 生成 2-aminomethyl-5-methyl-1(H)-imidazo-4-pyridine
  参考文献：
  名称：

  Discovery of an imidazopyridine-containing 1,4-benzodiazepine nonpeptide vitronectin receptor (αvβ3) antagonist with efficacy in a restenosis model

  摘要：

  In the 3-oxo-1,4-benzodiazepine-2-acetic acid series of vitronectin receptor (alpha v beta 3) antagonists, a compound containing an imidazopyridine arginine mimetic was discovered which had sufficient potency and iv pharmacokinetics for demonstration of efficacy in a rat restenosis model. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00556-3
• 作为产物：
  描述：

  2-氨基-3-硝基-6-甲基吡啶 在 palladium on activated charcoal TEA 、 氢气 、 溶剂黄146 、 氯甲酸异丁酯 作用下， 以 甲醇 为溶剂， 生成 benzyl N-[(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]carbamate
  参考文献：
  名称：

  Discovery of an imidazopyridine-containing 1,4-benzodiazepine nonpeptide vitronectin receptor (αvβ3) antagonist with efficacy in a restenosis model

  摘要：

  In the 3-oxo-1,4-benzodiazepine-2-acetic acid series of vitronectin receptor (alpha v beta 3) antagonists, a compound containing an imidazopyridine arginine mimetic was discovered which had sufficient potency and iv pharmacokinetics for demonstration of efficacy in a rat restenosis model. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00556-3

文献信息

• VITRONECTIN RECEPTOR ANTAGONISTS
  申请人：SMITHKLINE BEECHAM CORPORATION

  公开号：EP0869787A1

  公开（公告）日：1998-10-14
• EP0869787A4
  申请人：——

  公开号：EP0869787A4

  公开（公告）日：1999-03-24
• [EN] VITRONECTIN RECEPTOR ANTAGONISTS<br/>[FR] ANTAGONISTES DU RECEPTEUR DE LA VITRONECTINE
  申请人：SMITHKLINE BEECHAM CORPORATION

  公开号：WO1997024119A1

  公开（公告）日：1997-07-10

  (EN) Compounds of formulae (I-V) are disclosed which are vitronectin receptor antagonists and are useful in the treatment of osteoporosis.(FR) Composés des formules (I-V) constituant des antagonistes du récepteur de la vitronectine utiles pour le traitement de l'ostéoporose.
• Discovery of an imidazopyridine-containing 1,4-benzodiazepine nonpeptide vitronectin receptor (αvβ3) antagonist with efficacy in a restenosis model
  作者：Richard M. Keenan、M.Amparo Lago、William H. Miller、Fadia E. Ali、Russell D. Cousins、Leon B. Hall、Shing-Mei Hwang、Dalia R. Jakas、Chet Kwon、Calvert Louden、Thomas T. Nguyen、Eliot H. Ohlstein、David J. Rieman、Steven T. Ross、James M. Samanen、Brian R. Smith、Jeffrey Stadel、Dennis T. Takata、Lynne Vickery、Catherine C.K. Yuan、Tian-Li Yue

  DOI：10.1016/s0960-894x(98)00556-3

  日期：1998.11

  In the 3-oxo-1,4-benzodiazepine-2-acetic acid series of vitronectin receptor (alpha v beta 3) antagonists, a compound containing an imidazopyridine arginine mimetic was discovered which had sufficient potency and iv pharmacokinetics for demonstration of efficacy in a rat restenosis model. (C) 1998 Elsevier Science Ltd. All rights reserved.