N-(cyclopropylmethyl)-2-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-3,8-dimethyl-N-(oxan-4-ylmethyl)quinolin-5-amine | 1395411-77-4

• 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: N-(cyclopropylmethyl)-2-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-3,8-dimethyl-N-(oxan-4-ylmethyl)quinolin-5-amine
• CAS: 1395411-77-4
• 化学式: C₃₁H₄₀N₂O₄
• 分子量: 504.67
• InChiKey: ROQJFURODPHMET-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  37
• 可旋转键数：
  10
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  53
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-3,8-dimethyl-5-nitroquinoline 在 三乙酰氧基硼氢化钠 、 铁粉 、 氯化铵 、 溶剂黄146 作用下， 以 四氢呋喃 、 乙醇 、 水 为溶剂， 生成 N-(cyclopropylmethyl)-2-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-3,8-dimethyl-N-(oxan-4-ylmethyl)quinolin-5-amine
  参考文献：
  名称：

  Design, synthesis, and structure–activity relationships of a series of 2-Ar-8-methyl-5-alkylaminoquinolines as novel CRF1 receptor antagonists

  摘要：

  We designed and synthesized a series of 2-Ar-8-methyl-5-alkylaminolquinolines as potent corticotropin-releasing factor 1 (CRF1) receptor antagonists. The structure-activity relationships of substituents at each position (R-3, R-5, R-5', and R-8) was investigated. By derivatization, three compounds (6, 14b, and 14c) were identified as orally active CRF1 receptor antagonists. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.07.047

文献信息

• Design, synthesis, and structure–activity relationships of a series of 2-Ar-8-methyl-5-alkylaminoquinolines as novel CRF1 receptor antagonists
  作者：Kunitoshi Takeda、Taro Terauchi、Minako Hashizume、Kogyoku Shin、Mitsuhiro Ino、Hisashi Shibata、Masahiro Yonaga

  DOI：10.1016/j.bmcl.2012.07.047

  日期：2012.9

  We designed and synthesized a series of 2-Ar-8-methyl-5-alkylaminolquinolines as potent corticotropin-releasing factor 1 (CRF1) receptor antagonists. The structure-activity relationships of substituents at each position (R-3, R-5, R-5', and R-8) was investigated. By derivatization, three compounds (6, 14b, and 14c) were identified as orally active CRF1 receptor antagonists. (C) 2012 Elsevier Ltd. All rights reserved.