1,8-dibenzylidiene-1,2,3,4,5,6,7,8-octahydroacridine | 32462-10-5

• 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: 1,8-dibenzylidiene-1,2,3,4,5,6,7,8-octahydroacridine
• 英文别名: (4E,5E)-4,5-dibenzylidene-1,2,3,6,7,8-hexahydroacridine
• CAS: 32462-10-5
• 化学式: C₂₇H₂₅N
• 分子量: 363.502
• InChiKey: IZMIXUASVLVKNN-SKWBHROBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  28
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  12.9
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1,8-dibenzylidiene-1,2,3,4,5,6,7,8-octahydroacridine 在 二甲基硫 、 臭氧 作用下， 生成 2,3,7,8-tetrahydroacridine-4,5(1H,6H)-dione
  参考文献：
  名称：

  Polyaza cavity shaped molecules. 4. Annelated derivatives of 2,2':6',2"-terpyridine

  摘要：

  DOI：

  10.1021/jo00214a001
• 作为产物：
  描述：

  1,2,3,4,5,6,7,8-八氢吖啶 、 苯甲醛 在 乙酸酐 作用下， 反应 8.0h， 以92%的产率得到1,8-dibenzylidiene-1,2,3,4,5,6,7,8-octahydroacridine
  参考文献：
  名称：

  Polyaza cavity shaped molecules. 4. Annelated derivatives of 2,2':6',2"-terpyridine

  摘要：

  DOI：

  10.1021/jo00214a001

文献信息

• WESTERWELLE, ULRICH;ESSER, ACHIM;RISCH, NIKOLAUS, CHEM. BER., 124,(1991) N, C. 571-576
  作者：WESTERWELLE, ULRICH、ESSER, ACHIM、RISCH, NIKOLAUS

  DOI：——

  日期：——
• TILICHENKO, M. N.;MINAEVA, N. N., ZH. ORGAN. XIMII, 1983, 19, N 12, 2516-2523
  作者：TILICHENKO, M. N.、MINAEVA, N. N.

  DOI：——

  日期：——
• THUMMEL, R. P.;JAHNG, YURNGDONG, J. ORG. CHEM., 1985, 50, N 14, 2407-2412
  作者：THUMMEL, R. P.、JAHNG, YURNGDONG

  DOI：——

  日期：——
• METHOD FOR TREATING CHRONIC PAIN
  申请人：Salvemini Daniela

  公开号：US20120135973A1

  公开（公告）日：2012-05-31

  The present invention provides analgesic compounds comprising at least one modified metalloporphyrin compound. Also provided are methods of treating pain by orally administering an analgesic compounds comprising at least one modified metalloporphyrin compound.
• [EN] METHOD FOR TREATING CHRONIC PAIN<br/>[FR] PROCÉDÉ DE TRAITEMENT DE LA DOULEUR CHRONIQUE
  申请人：SOUTHERN ILLINOIS UNIVERSITY EDWARDSVILLE

  公开号：WO2012033916A1

  公开（公告）日：2012-03-15

  Analgesic compounds comprise at least one modified metalloporphyrin compound. Methods of treating pain by orally administering an analgesic compounds comprise at least one modified metalloporphyrin compound. Orally available peroxynitrite decomposition catalyst (PNDC) compounds are provided that are based on novel modified porphyrin structures. The modifications to the porphyrin structures render the compounds orally available and capable of crossing the blood-brain barrier (BBB), while retaining high PNDC efficacy. Examples of orally available PNDC compounds, methods of producing the PNDC compounds, and methods of using the PNDC compounds to treat chronic pain associated with neuropathic, inflammatory, or other disorders.