mitonafide hydrochloride | 96807-43-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: mitonafide hydrochloride
• 英文别名: 5-Nitro-2-(2-dimethylaminoethyl)benzo(de)isoquinoline-1,3-dione hydrochloride；2-[2-(dimethylamino)ethyl]-5-nitrobenzo[de]isoquinoline-1,3-dione;hydrochloride
• CAS: 96807-43-1
• 化学式: C₁₆H₁₅N₃O₄*ClH
• 分子量: 349.774
• InChiKey: WDAQGSGEPWZYIV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.33
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  86.4
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  mitonafide malate 、 mitonafide hydrochloride 在 palladium-carbon 作用下， 以 甲醇 、 乙醚 、 水 、 异丙醇 为溶剂， 生成 2HCl amonafide
  参考文献：
  名称：

  US2005/239816

  摘要：

  公开号：
• 作为产物：
  描述：

  3-硝基-1,8-萘二甲酸酐 、 N,N'-二甲基乙二胺 、 甲苯 以75%的产率得到
  参考文献：
  名称：

  ZEE-CHENG, R. K. Y.;CHENG, C. C., J. MED. CHEM., 1985, 28, N 9, 1216-1222

  摘要：

  DOI：

文献信息

• Amonafide salts
  申请人：Xanthus Life Sciences, Inc.

  公开号：US20030203932A1

  公开（公告）日：2003-10-30

  Disclosed is a salt of amonafide or amonafide analogs represented Structural Formula (I): 1 R1 is —(CH 2 ) n N + HR3R4 X − or R1 is —(CH 2 ) n N + HR3R4 X − or —(CH 2 ) n NR3R4 when R2 is —N + HR6R7. R2 is —OR5, halogen, —NR6R7, —N + HR6R7 X −, sulphonic acid, nitro, —NR5COOR5, —NR5COR5 or —OCOR5; R3 and R4 are independently H, C1-C4 alkyl group or, taken together with the nitrogen atom to which they are bonded, a non-aromatic nitrogen-containing heterocyclic group; each R5 is independently —H or a C1-C4 alkyl group; R6 and R7 are independently H, C1-C4 alkyl group or, taken together with the nitrogen atom to which they are bonded, a non-aromatic nitrogen-containing heterocyclic group; n is an integer from 0-3; and X − is the carboxylate anion of an organic carboxylic acid compound. Also disclosed are methods of preparing certain compounds represented by Structural Formula (I).

  本发明涉及一种氨酰胺或氨酰胺类似物的盐，其结构式（I）表示为：1R1为—（CH2）nN+HR3R4 X−或R1为—（ ）nN+HR3R4 X−或—（ ）nNR3R4，当R2为—N+HR6R7时。R2为—OR5、卤素、—NR6R7、—N+HR6R7 X−、磺酸、硝基、—NR5COOR5、—NR5COR5或—OCOR5；R3和R4独立地为H、C1-C4烷基或与它们结合的氮原子一起形成非芳香族含氮杂环基；每个R5独立地为—H或C1-C4烷基；R6和R7独立地为H、C1-C4烷基或与它们结合的氮原子一起形成非芳香族含氮杂环基；n为0-3的整数；X−是有机羧酸化合物的羧酸根阴离子。还公开了制备某些结构式（I）所表示的化合物的方法。
• AMONAFIDE SALTS
  申请人：Xanthus Life Sciences, Inc.

  公开号：EP1499595A1

  公开（公告）日：2005-01-26
• US6693198B2
  申请人：——

  公开号：US6693198B2

  公开（公告）日：2004-02-17
• US6989390B2
  申请人：——

  公开号：US6989390B2

  公开（公告）日：2006-01-24
• [EN] AMONAFIDE SALTS<br/>[FR] SELS D'AMONAFIDE
  申请人：XANTHUS LIFE SCIENCES INC

  公开号：WO2003089415A1

  公开（公告）日：2003-10-30

  Disclosed is a salt of amonafide or amonafide analogs represented Structural Formula (I): R1 is-(CH2)nN+HR3R4 X- or R1 is -(CH2)nN+Hr3r4 X- or -(CH2)nNR3R4 when R2 is -N+HR6R7. R2 is -OR5, halogen, NR6R7, -N+HR6R7 X-, sulphonic acid, nitro, -NR5COOR5, -NR5COR5 or -OCOR5; R3 and R4 are independently H, C1-C4 alkyl group or, taken together with the nitrogen atom to which they are bonded, a non-aromatic nitrogen-containing heterocyclic group; each R5 is independently -H or a C1-C4 alkyl group; R6 and R7 are independently H, C1-C4 alkyl group or, taken together with the nitrogen atom to which they are bonded, a non-aromatic nitrogen-containing heterocyclic group; n is an integer from 0-3; and X- is the carboxylate anion of an organic carboxylic acid compound. Also disclosed are methods of preparing certain compounds represented by Structural Formula (I).