benzyl 5-amino-4-oxopentanoate hydrobromide | 865112-37-4

• 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: benzyl 5-amino-4-oxopentanoate hydrobromide
• 英文别名: benzyl 5-amino-4-oxopentanoate;hydrobromide
• CAS: 865112-37-4
• 化学式: BrH*C₁₂H₁₅NO₃
• 分子量: 302.168
• InChiKey: FADWOBWLIJZMNV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.62
• 重原子数：
  17
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  69.4
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  5-amino-4-oxopentanoic acid hydrobromide 、 苯甲醇 在 氢溴酸 苯甲醇 、 silica gel 、 乙腈 、 甲醇 作用下， 25.0~80.0 ℃ 、266.62 kPa 条件下， 反应 48.0h， 以15 mm Hg to give 0.97 g (43%) tan powder, mp 62-67° C.的产率得到benzyl 5-amino-4-oxopentanoate hydrobromide
  参考文献：
  名称：

  Acid Addition Salts Of-5-Aminolevulinic Acid Or Its Derivatives

  摘要：

  本发明提供了5-氨基戊酸（5-ALA）或5-ALA衍生物（例如5-ALA酯）与具有pKa约为5或更低的酸（优选约为3或更低），但该酸不是盐酸的酸加成盐。特别优选的盐是由选自磺酸及其衍生物、氢溴酸、硫酸、硝酸和磷酸的酸所衍生的盐。本发明的盐特别适用于作为诊断和光化学治疗身体内部或外部表面的疾病或异常的光敏剂。

  公开号：

  US20080064752A1

文献信息

• [EN] ACID ADDITION SALTS OF 5-AMINOLEVULINIC ACID OR ITS DERIVATIVES<br/>[FR] SELS D'ADDITION ACIDE D'ACIDE 5-AMINOLEVULINIQUE OU DE SES DERIVES
  申请人：PHOTOCURE ASA

  公开号：WO2005092838A1

  公开（公告）日：2005-10-06

  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.

  本发明提供了一种5-氨基戊酸（5-ALA）或5-ALA衍生物（例如5-ALA酯）的酸加成盐，所述酸具有大约5或更低的pKa值，优选大约3或更低的pKa值，但该酸不包括盐酸。特别优选的盐是来源于选自磺酸及其衍生物，氢溴酸，硫酸，硝酸和磷酸组成的酸的盐。根据本发明的盐特别适用于用作诊断和光化疗治疗身体内外表面的疾病或异常的光敏剂。
• Acid addition salts of 5-aminolevulinic acid or its derivatives
  申请人：Photocure ASA

  公开号：US07888526B2

  公开（公告）日：2011-02-15

  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.

  本发明提供了一种5-氨基戊酸（5-ALA）或5-ALA衍生物（例如5-ALA酯）与具有pKa约为5或更低（优选约为3或更低）的酸的酸性添加盐，但该酸不是盐酸。特别优选的盐是从包括磺酸及其衍生物、氢溴酸、硫酸、硝酸和磷酸的酸中选择的。根据本发明的盐特别适用于作为诊断和光化学治疗体表或体内异常或疾病的光敏剂。
• ACID ADDITION SALTS OF 5-AMINOLEVULINIC ACID OR ITS DERIVATIVES
  申请人：BRAENDEN Jon Erik

  公开号：US20110125012A1

  公开（公告）日：2011-05-26

  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.

  本发明提供了一种5-氨基戊酸（5-ALA）或5-ALA衍生物（例如5-ALA酯）与pKa约为5或更低（优选约为3或更低）的酸的酸加成盐，但该酸不是盐酸。特别优选的盐是从磺酸及其衍生物、氢溴酸、硫酸、硝酸和磷酸组成的酸中选择的。根据本发明的盐特别适用于作为诊断和光化学治疗身体内外表面的疾病或异常的光敏剂。
• US7888526B2
  申请人：——

  公开号：US7888526B2

  公开（公告）日：2011-02-15
• US8692014B2
  申请人：——

  公开号：US8692014B2

  公开（公告）日：2014-04-08