N-(2-aminoethyl)-{6-[3-(1-adamantyl)-4,5-methylenedioxyphenyl]-2-naphthalenecarboxamide} | 202192-31-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: N-(2-aminoethyl)-{6-[3-(1-adamantyl)-4,5-methylenedioxyphenyl]-2-naphthalenecarboxamide}
• 英文别名: 6-[7-(1-adamantyl)-1,3-benzodioxol-5-yl]-N-(2-aminoethyl)naphthalene-2-carboxamide
• CAS: 202192-31-2
• 化学式: C₃₀H₃₂N₂O₃
• 分子量: 468.596
• InChiKey: MAUNCCYTEUROOW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  35
• 可旋转键数：
  5
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  73.6
• 氢给体数：
  2
• 氢受体数：
  4

文献信息

• Apoptosis inducing adamantyl derivatives and their usage as anti-cancer agents, especially for cervical cancers and dysplasias
  申请人：——

  公开号：US20030073745A1

  公开（公告）日：2003-04-17

  The invention relates to the discovery that specific adamantyl or adamantyl group derivatives containing retinoid-related compounds induce apoptosis of cancer cells and therefore may be used for the treatment of cancer, including advanced cancer. Also, the present invention relates to novel adamantyl or adamantyl group derivatives containing retinoid compounds and their usage for treatment and/or prevention of cancer, keratinization disorders, dermatological conditions, and other therapies More specifically, it has been shown that such adamantyl compounds, e.g., 6-[3-( 1 -adamantyl)-4-methoxyphenyl]-2-naphthoicacid, 2-[3-( 1 -adamantyl)-4-methoxyphenyl]-5-benzimidazole carboxylic acid, and 6-[3-( 1 -adamantyl)-4,5-methylenedioxyphenyl]-2-naphthoic acid, can be used to treat or prevent cervical cancers and precancers such as cervical dysplasias, including high grade and low grade dysplasias.

  本发明涉及到发现了含有金刚烷基或金刚烷基衍生物的类视黄醇相关化合物可以诱导癌细胞凋亡，因此可以用于治疗包括晚期癌症在内的癌症。此外，本发明还涉及到新的含有金刚烷基或金刚烷基衍生物的类视黄醇化合物及其用于治疗和/或预防癌症、角化病、皮肤病和其他疗法的用途。更具体地说，已经证明这种金刚烷化合物，例如6-［3-（1-金刚烷基）-4-甲氧基苯基］-2-萘甲酸、2-［3-（1-金刚烷基）-4-甲氧基苯基］-5-苯并咪唑羧酸和6-［3-（1-金刚烷基）-4,5-亚甲二氧基苯基］-2-萘甲酸，可用于治疗或预防宫颈癌和宫颈上皮内瘤变，包括高级别和低级别瘤变。
• APOPTOSIS INDUCING ADAMANTYL DERIVATIVES AND THEIR USAGE AS ANTI-CANCER AGENTS
  申请人：Galderma Research & Development, S.N.C.

  公开号：EP0920312B1

  公开（公告）日：2004-12-08
• ADAMANTYL DERIVATIVES AS ANTI-CANCER AGENTS
  申请人：Galderma Research & Development, S.N.C.

  公开号：EP1272176A1

  公开（公告）日：2003-01-08
• EP1272176A4
  申请人：——

  公开号：EP1272176A4

  公开（公告）日：2004-12-29
• US6127415A
  申请人：——

  公开号：US6127415A

  公开（公告）日：2000-10-03