Pentanoic acid, 5-amino-4-oxo-, 2-methylpentyl ester | 396078-95-8

• 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: Pentanoic acid, 5-amino-4-oxo-, 2-methylpentyl ester
• 英文别名: 2-methylpentyl 5-amino-4-oxopentanoate
• CAS: 396078-95-8
• 化学式: C₁₁H₂₁NO₃
• 分子量: 215.29
• InChiKey: SCAKPIXDAZCYRT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  15
• 可旋转键数：
  9
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  69.4
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• Acid addition salts of 5-aminolevulinic acid or its derivatives
  申请人：Photocure ASA

  公开号：EP2308830A1

  公开（公告）日：2011-04-13

  The present invention provides an acid addition salt of 5-aminolevulinic acid (5-ALA) or of a 5-ALA derivative (e.g. a 5-ALA ester) with an acid which has a pKa of about 5 or less, preferably about 3 or less, with the proviso that the acid is other than hydrochloric acid. Particularly preferred salts are those derived from acids selected from the group comprising sulphonic acid and its derivatives, hydrobromic acid, sulfuric acid, nitric acid and phosphoric acid. The salts in accordance with the invention are particularly suitable for use as photosensitizing agents in diagnosis and photochemotherapy of disorders or abnormalities of external or internal surfaces of the body.

  本发明提供了5-氨基乙酰丙酸（5-ALA）或5-ALA衍生物（如5-ALA酯）与pKa约为5或更小，最好约为3或更小的酸的酸加成盐，但条件是该酸不是盐酸。特别优选的盐是从磺酸及其衍生物、氢溴酸、硫酸、硝酸和磷酸中选出的酸衍生而来的盐。符合本发明的盐类特别适合用作光敏剂，用于诊断和光化学疗法，治疗身体外部或内部表面的疾病或异常。