phenethyl-vanillyl-amine | 446027-65-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: phenethyl-vanillyl-amine
• 英文别名: (4-Oxy-3-methoxy-benzyl)-β-phenaethylamin；Phenaethyl-vanillyl-amin；2-Methoxy-4-(phenethylamino-methyl)-phenol；2-methoxy-4-[(2-phenylethylamino)methyl]phenol
• CAS: 446027-65-2
• 化学式: C₁₆H₁₉NO₂
• 分子量: 257.332
• InChiKey: MTAGFKXNJKRAKR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  19
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  41.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-苯基乙基异硫代氰酸酯 、 phenethyl-vanillyl-amine 以 二氯甲烷 为溶剂， 生成 1-[(4-Hydroxy-3-methoxyphenyl)methyl]-1,3-bis(2-phenylethyl)thiourea
  参考文献：
  名称：

  Synthesis of N,N′,N″-trisubstituted thiourea derivatives and their antagonist effect on the vanilloid receptor

  摘要：

  Twenty-seven N,N',N"-trisubstituted thiourea derivatives were prepared. Among them, 1-[3-(4'-hydroxy-3'-methoxy- phenyl)-propyl]-1.3-diphenethyl-thiourea (81, IC50=0.32 muM), showed 2-fold higher antagonistic actively than that of capsazepine (3, IC50 = 0.65 muM) against the,anilloid receptor in a Ca-45(2+)-influx assay. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)01040-5
• 作为产物：
  描述：

  2-methoxy-4-(phenethylimino-methyl)-phenol 在 乙醇 、 sodium 作用下， 生成 phenethyl-vanillyl-amine
  参考文献：
  名称：

  Shepard; Ticknor, Journal of the American Chemical Society, 1916, vol. 38, p. 384

  摘要：

  DOI：

文献信息

• Synthesis of N,N′,N″-trisubstituted thiourea derivatives and their antagonist effect on the vanilloid receptor
  作者：Hyeung-geun Park、Mi-kyung Park、Ji-yeon Choi、Sea-hoon Choi、Jihye Lee、Boon-saeng Park、Myoung Goo Kim、Young-ger Suh、Hawon Cho、Uhtaek Oh、Jeewoo Lee、Hee-Doo Kim、Young-Ho Park、Hyun-Ju Koh、Kyung Min Lim、Joo-Hyun Moh、Sang-sup Jew

  DOI：10.1016/s0960-894x(02)01040-5

  日期：2003.2

  Twenty-seven N,N',N"-trisubstituted thiourea derivatives were prepared. Among them, 1-[3-(4'-hydroxy-3'-methoxy- phenyl)-propyl]-1.3-diphenethyl-thiourea (81, IC50=0.32 muM), showed 2-fold higher antagonistic actively than that of capsazepine (3, IC50 = 0.65 muM) against the,anilloid receptor in a Ca-45(2+)-influx assay. (C) 2003 Elsevier Science Ltd. All rights reserved.
• Shepard; Ticknor, Journal of the American Chemical Society, 1916, vol. 38, p. 384
  作者：Shepard、Ticknor

  DOI：——

  日期：——