3-Cyano-4,8-dimethyl-4'-(bromomethyl)-4',5'-dihydropsoralen | 273409-99-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: 3-Cyano-4,8-dimethyl-4'-(bromomethyl)-4',5'-dihydropsoralen
• 英文别名: 3-(Bromomethyl)-5,9-dimethyl-7-oxo-2,3-dihydrofuro[3,2-g]chromene-6-carbonitrile
• CAS: 273409-99-7
• 化学式: C₁₅H₁₂BrNO₃
• 分子量: 334.169
• InChiKey: FDSVUIRVPGFLFW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  20
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  59.3
• 氢给体数：
  0
• 氢受体数：
  4

文献信息

• 4'-SUBSTITUTED-4',5'-DIHYDROPSORALENS AND THERAPEUTICAL USES THEREOF
  申请人：BUCKMAN LABORATORIES INTERNATIONAL, INC.

  公开号：EP1144417A1

  公开（公告）日：2001-10-17
• US6177424B1
  申请人：——

  公开号：US6177424B1

  公开（公告）日：2001-01-23
• [EN] 4'-SUBSTITUTED-4',5'-DIHYDROPSORALENS AND THERAPEUTICAL USES THEREOF<br/>[FR] DIHYDROPSORALENES-4', 5' SUBSTITUES EN POSITION 4 ET LEURS UTILISATIONS THERAPEUTIQUES
  申请人：BUCKMAN LABOR INC

  公开号：WO2000032603A1

  公开（公告）日：2000-06-08

  The invention relates to 4'-substituted-4',5'-dihydropsoralen compounds of formula (V). In the formula R is hydrogen, a halogen, CN or an acyl group; T is a halogen, CN, a carboalkoxy group NR?1R2, or (N+R1R2R3)X-, R1 and R2¿ are independently a C¿1?-C6 alkyl, or R?1 and R2¿ together with the nitrogen form a 5-8 member heterocyclic ring, or when T is (N?+R1R2R3)X-, R1 and R2¿ together with the nitrogen form a 5-8 member heterocyclic ring or heterocyclic aromatic ring; R3 is hydroge, a C¿1?-C12 alkyl, or, when R?1 and R2¿ together with the nitrogen form a heterocyclic aromatic ring, R3 is a double bond within the heterocyclic aromatic ring; X is a halide. In another embodiment, the invention relates to processes for preparing 4'-substituted-4',5'-dihydropsoralen compounds described above. The compounds of the invention have beneficial pharmaceutical properties and can be used alone or in pharmaceutical compositions used to treat a proliferative skin disorder and to treat microbial infections in a mammal by administering to the mammal an effective amount of a compound of the invention and then irradiating the mammal with ultraviolet light.