methyl 6-propylpicolinate | 108082-63-9

• 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: methyl 6-propylpicolinate
• 英文别名: Methyl 6-propylpyridine-2-carboxylate
• CAS: 108082-63-9
• 化学式: C₁₀H₁₃NO₂
• 分子量: 179.219
• InChiKey: QQRFOGOWERZGAI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  39.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  methyl 6-propylpicolinate 在 二异丁基氢化铝 作用下， 以 二氯甲烷 为溶剂， 生成 (6-Propylpyridin-2-yl)methanol
  参考文献：
  名称：

  A series of non-quinoline cysLT1 receptor antagonists: Sar study on pyridyl analogs of singulair®

  摘要：

  The structure-activity relationship of a series of styrylpyridine analogs of MK-0476 (montelukast, Singulair(R)) is described. This work has led to the identification of a number of potent and orally active cysLT(1), receptor (LTD4 receptor) antagonists including 2ab (1,-733,321) as an optimized candidate. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00051-1
• 作为产物：
  描述：

  2-hydroxy-6-oxo-2,4-nonadienoic acid 在 铵 作用下， 生成 methyl 6-propylpicolinate
  参考文献：
  名称：

  Mechanism-based inactivation of catechol 2,3-dioxygenase by 3-[(methylthio)methyl]catechol

  摘要：

  DOI：

  10.1021/ja00243a065

文献信息

• NOVEL PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS
  申请人：ELI LILLY AND COMPANY

  公开号：EP1397364B1

  公开（公告）日：2007-07-25
• [EN] METHODS OF INHIBITING TGF BETA WITH SUBSTITUTED PYRAZOLES<br/>[FR] PROCEDES RELATIFS A L'INHIBITION DU TGF-BETA PAR LE BIAIS DE PYRAZOLES SUBSTITUES
  申请人：LILLY CO ELI

  公开号：WO2004026302A1

  公开（公告）日：2004-04-01

  Substituted pyrazoles are disclosed useful in the treatment of cancer and other disease states influenced by TGF beta by inhibiting TGF-β in a patient in need thereof.
• A series of non-quinoline cysLT1 receptor antagonists: Sar study on pyridyl analogs of singulair®
  作者：Daniel Guay、J.Y. Gauthier、C. Dufresne、T.R. Jones、M. McAuliffe、C. McFarlane、K.M. Metters、P. Prasit、C. Rochette、P. Roy、N. Sawyer、R. Zamboni

  DOI：10.1016/s0960-894x(98)00051-1

  日期：1998.3

  The structure-activity relationship of a series of styrylpyridine analogs of MK-0476 (montelukast, Singulair(R)) is described. This work has led to the identification of a number of potent and orally active cysLT(1), receptor (LTD4 receptor) antagonists including 2ab (1,-733,321) as an optimized candidate. (C) 1998 Elsevier Science Ltd. All rights reserved.
• Mechanism-based inactivation of catechol 2,3-dioxygenase by 3-[(methylthio)methyl]catechol
  作者：Robert A. Pascal、Ded Shih Huang

  DOI：10.1021/ja00243a065

  日期：1987.4