3-甲基-5-硝基-2-吡咯烷-1-基吡啶 | 88374-46-3

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 中文名称: 3-甲基-5-硝基-2-吡咯烷-1-基吡啶
• 英文名称: 3-Methyl-5-nitro-2-(pyrrolidin-1-yl)pyridine
• 英文别名: 3-methyl-5-nitro-2-pyrrolidin-1-ylpyridine
• CAS: 88374-46-3
• 化学式: C₁₀H₁₃N₃O₂
• 分子量: 207.232
• InChiKey: DTILNTIRZIRWTP-UHFFFAOYSA-N

物化性质

• 沸点：
  385.9±42.0 °C(Predicted)
• 密度：
  1.253±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  62
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-甲基-5-硝基-2-吡咯烷-1-基吡啶 、 三甲基碘化亚砜 在 sodium hydride 作用下， 以 二甲基亚砜 为溶剂， 生成
  参考文献：
  名称：

  Synthesis and structure–activity relationships of N3-pyridylpyrazinones as corticotropin-releasing factor-1 (CRF1) receptor antagonists

  摘要：

  A series of N-3-pyridylpyrazinones was investigated as corticotropin-releasing factor-1 receptor antagonists. It was observed that the binding affinity of analogues containing a pyridyl group was influenced not only by the substitution pattern on the pyridyl group, but also by the pK(a) of the pyridyl nitrogen. Analogues containing a novel 6-(difluoromethoxy)-2,5-dimethylpyridin-3-amine group were among the most potent N-3-pyridylpyrazinones synthesized. The synthesis and SAR of N-3-pyridylpyrazinones is described herein. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.01.129
• 作为产物：
  描述：

  四氢吡咯 、 2-氯-3-甲基-5-硝基吡啶 以 四氢呋喃 为溶剂， 生成 3-甲基-5-硝基-2-吡咯烷-1-基吡啶
  参考文献：
  名称：

  Synthesis and structure–activity relationships of N3-pyridylpyrazinones as corticotropin-releasing factor-1 (CRF1) receptor antagonists

  摘要：

  A series of N-3-pyridylpyrazinones was investigated as corticotropin-releasing factor-1 receptor antagonists. It was observed that the binding affinity of analogues containing a pyridyl group was influenced not only by the substitution pattern on the pyridyl group, but also by the pK(a) of the pyridyl nitrogen. Analogues containing a novel 6-(difluoromethoxy)-2,5-dimethylpyridin-3-amine group were among the most potent N-3-pyridylpyrazinones synthesized. The synthesis and SAR of N-3-pyridylpyrazinones is described herein. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.01.129

文献信息

• TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM
  申请人：Takeda Pharmaceutical Company Limited

  公开号：EP2240485A1

  公开（公告）日：2010-10-20
• [EN] TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM<br/>[FR] COMPOSÉS TRICYCLIQUES PRÉSENTANT UNE ACTIVITÉ ANTAGONISTE ENVERS LE FACTEUR DE LIBÉRATION DE LA CORTICOTROPINE ET COMPOSITIONS PHARMACEUTIQUES LES CONTENANT
  申请人：TAKEDA PHARMACEUTICAL

  公开号：WO2009093747A1

  公开（公告）日：2009-07-30

  There is provided a compound of the formula (I') : wherein X is a nitrogen or CRx, Rx is a hydrogen, etc., R1 is an optionally substituted hydrocarbon group, etc., R2 is an optionally substituted hydrocarbon group, etc., ring A is 5- to -8-membered heterocyclic ring, etc., and each of Y1,. Y2 and Y3 is an optionally substituted carbon or a nitrogen, etc.; or 'a salt thereof or a prodrug thereof., which have CRF receptor antagonistic activity and use thereof.