N-{4-[(2-amino-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-amino]-benzoyl}-glutamic acid | 5854-11-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N-{4-[(2-amino-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-amino]-benzoyl}-glutamic acid
• 英文别名: 5.8-Deazafolsaeure；Dideazafolate；2-[[4-[(2-amino-4-oxo-3H-quinazolin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
• CAS: 5854-11-5
• 化学式: C₂₁H₂₁N₅O₆
• 分子量: 439.428
• InChiKey: UQFCLENKCDVITL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  32
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  183
• 氢给体数：
  6
• 氢受体数：
  8

文献信息

• PHARMACEUTICAL COMPOSITION FOR TREATING CANCER COMPRISING CHLORIN E6-FOLIC ACID CONJUGATE COMPOUND AND CHITOSAN
  申请人：Park Kye Shin

  公开号：US20120035180A1

  公开（公告）日：2012-02-09

  The present invention relates to a pharmaceutical composition for the treatment of cancer comprising a chlorin e6-folic acid conjugate compound and chitosan, and more particularly, to a pharmaceutical composition for photodynamic therapy of solid tumors comprising the novel chlorin e6-folic acid conjugate compound or a pharmaceutically acceptable salt thereof and chitosan, in which the novel compound is prepared by linking chlorin e6 to folic acid, and effectively produces singlet oxygen in various media and has much better tumor selectivity than the known porphyrin-based photosensitizers, thereby being used effectively in photodynamic treatment for malignant tumors.