4-Chlorobenzyl 5-amino-4-oxopentanoate Hydrochloride | 396078-83-4

• 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: 4-Chlorobenzyl 5-amino-4-oxopentanoate Hydrochloride
• 英文别名: (4-chlorophenyl)methyl 5-amino-4-oxopentanoate;hydrochloride
• CAS: 396078-83-4
• 化学式: C₁₂H₁₄ClNO₃*ClH
• 分子量: 292.162
• InChiKey: XPNIVMOQNLYNRT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.11
• 重原子数：
  18
• 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-氨基乙酰丙酸盐酸盐 、 4-氯苯甲醇 反应 24.0h， 生成 4-Chlorobenzyl 5-amino-4-oxopentanoate Hydrochloride
  参考文献：
  名称：

  Esters of 5-aminolevulinic acid as photosensitizing agents in photochemotherapy

  摘要：

  本发明提供了化合物，用于光化学疗法或诊断，所述化合物是5-氨基戊酸的支链烷基酯或取代烷基酯，或其衍生物或药学上可接受的盐。特别是，本发明提供了式（I）的化合物：R22N-CH2COCH2CH2CO-OR1（其中R1代表可选取代的支链烷基（例如C5-30烷基）或取代烷基；R2表示氢原子或可选取代的烷基，优选为R1基团；其中所述取代基被选择自羟基，烷氧基，酰氧基，烷基羧氧基，氨基，芳基，硝基，氧代，氟代，-SR3，-NR32和-PR32基团，每个烷基可以被一个或多个O-，-NR3-，-S-或-PR3-基团中断；R3表示氢原子或C1-6烷基），以及用于诊断和治疗身体外部或内部表面的异常或疾病的产品和工具箱。

  公开号：

  US07217736B2

文献信息

• ESTERS OF 5-AMINOLEVULINIC ACID AS PHOTOSENSITIZING AGENTS IN PHOTOCHEMOTHERAPY
  申请人：Photocure ASA

  公开号：EP1313695A1

  公开（公告）日：2003-05-28
• US7217736B2
  申请人：——

  公开号：US7217736B2

  公开（公告）日：2007-05-15
• US7563819B1
  申请人：——

  公开号：US7563819B1

  公开（公告）日：2009-07-21
• [EN] ESTERS OF 5-AMINOLEVULINIC ACID AS PHOTOSENSITIZING AGENTS IN PHOTOCHEMOTHERAPY<br/>[FR] ESTERS DE L'ACIDE 5-AMINOLEVULINIQUE UTILISES COMME AGENTS PHOTOSENSIBILISATEURS EN PHOTOCHIMIOTHERAPIE
  申请人：PHOTOCURE ASA

  公开号：WO2002010120A1

  公开（公告）日：2002-02-07

  The invention provides compounds for use in photochemotherapy or diagnosis, said compounds being branched alkyl esters or substituted alkyl esters of 5-aminolevulinic acid, or derivatives or pharmaceutically acceptable salts thereof. In particular, the invention provides compounds of formula (I): R22N-CH2COCH2CH2CO-OR1 (wherein R1 represents an optionally substituted branched alkyl (e.g. C¿5-30? alkyl) group, or a substituted alkyl group; R?2¿, each of which may be the same or different, represents a hydrogen atom or an optionally substituted alkyl group, preferably a group R1; wherein said substituents are selected from hydroxy, alkoxy, acyloxy, alkoxycarbonyloxy, amino, aryl, nitro, oxo, fluoro, -SR3, -NR32 and PR32 groups, and each alkyl group is optionally interrupted by one or more O-, -NR3-, -S- or -PR3- groups; and R3 represents a hydrogen atom or a C¿1-6? alkyl group) and salts thereof for use in diagnosis and photochemotherapy of disorders of abnormalities of external or internal surfaces of the body, and products and kits for performing the invention.
• Esters of 5-aminolevulinic acid as photosensitizing agents in photochemotherapy
  申请人：——

  公开号：US20040106679A1

  公开（公告）日：2004-06-03

  The invention provides compounds for use in photochemotherapy or diagnosis, said compounds being branched alkyl esters or substituted alkyl esters of 5-aminolevulinic acid, or derivatives or pharmaceutically acceptable salts thereof. In particular, the invention provides compounds of formula (I): R 2 2 N—CH 2 COCH 2 CH 2 CO—OR 1 (wherein R 1 represents an optionally substituted branched alkyl (e.g. C 5-30 alkyl) group, or a substituted alkyl group; R 2 , each of which may be the same or different, represents a hydrogen atom or an optionally substituted alkyl group, preferably a group R 1 ; wherein said substituents are selected from hydroxy, alkoxy, acyloxy, alkoxycarbonyloxy, amino, aryl, nitro, oxo, fluoro, —SR 3 , —NR 3 2 and PR 3 2 groups, and each alkyl group is optionally interrupted by one or more O—, —NR 3 —, —S— or —PR 3 — groups; and R 3 represents a hydrogen atom or a C 1-6 alkyl group) and salts thereof for use in diagnosis and photochemotherapy of disorders of abnormalities of external or internal surfaces of the body, and products and kits for performing the invention.

  该发明提供了用于光化疗或诊断的化合物，所述化合物为5-氨基丙酸的支链烷基酯或取代烷基酯，或其衍生物或药用可接受的盐。具体而言，该发明提供了式(I)的化合物：R2N—CH2COCH2CH2CO—OR1（其中R1代表可选择取代的支链烷基（例如C5-30烷基）基团，或取代烷基基团；R2，每个可能相同或不同，代表氢原子或可选择取代的烷基基团，优选为基团R1；其中所述取代基被选择自羟基、烷氧基、酰氧基、烷氧羰氧基、氨基、芳基、硝基、氧代、氟代、—SR3、—NR32和PR32基团，每个烷基基团可选择地被一个或多个O—、—NR3—、—S—或—PR3—基团中断；R3代表氢原子或C1-6烷基基团）及其盐，用于诊断和治疗身体外部或内部表面的异常或疾病的光化疗，以及执行该发明的产品和工具包。