2-phenylethyl ALA ester | 163271-26-9

• 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: 2-phenylethyl ALA ester
• 英文别名: 5-aminolevulinic acid phenylethyl ester；5-aminolevulinic acid 2-phenylethyl ester；Pentanoic acid, 5-amino-4-oxo-, 2-phenylethyl ester；2-phenylethyl 5-amino-4-oxopentanoate
• CAS: 163271-26-9
• 化学式: C₁₃H₁₇NO₃
• 分子量: 235.283
• InChiKey: RFFCAWWOXYDQPU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  17
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  69.4
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• 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。
• NEW ESTERS OF 5-AMINOLEVULINIC ACID AND THEIR USE AS PHOTOSENSITIZING COMPOUNDS IN PHOTOCHEMOTHERAPY
  申请人：Gierskcky E. Karl

  公开号：US20050107471A1

  公开（公告）日：2005-05-19

  The present invention relates to compounds being esters of 5-aminolevulinic acids or pharmaceutically acceptable salts thereof, including compounds of formula (I) R 2 2 N—CH 2 COCH 2 —CH 2 CO—OR 1 (wherein R 1 may represent alkyl optionally substituted by hydroxy, alkoxy, acyloxy, alkoxycarbonyloxy, amino, aryl, oxo or fluoro groups and optionally interrupted by oxygen, nitrogen, sulphur or phosphorus atoms; and R 2 represents a hydrogen atom or a group R 1 , and both R 2 groups may be the identical or different), and their use in diagnosis and photochemotherapy of disorders or abnormalities of external or internal surfaces of the body, and products and kits for performing the invention.

  本发明涉及5-氨基戊酸酯化合物或其药学上可接受的盐，包括式(I)的化合物R22N-CH2COCH2-CH2CO-OR1（其中R1可能代表烷基，可选地被羟基，烷氧基，酰氧基，烷氧羰氧基，氨基，芳基，氧化物或氟基取代，并可由氧，氮，硫或磷原子中断; R2表示氢原子或R1基团，且两个R2基团可以相同或不同），以及它们在诊断和光化学治疗身体内外表面的疾病或异常中的应用，以及用于执行本发明的产品和工具包。
• DIAGNOSTIC AGENTS AND REMEDIES FOR MALIGNANT TUMORS
  申请人：Cosmo Research Institute

  公开号：EP0995448A1

  公开（公告）日：2000-04-26

  An agent for diagnosing or photokinetically treating malignant tumors, comprising as an active ingredient a compound in which at least one carbon atom of 5-aminolevulinic acid is a carbon isotope and/or a nitrogen atom in its amino group is a nitrogen isotope, or an ester, amide, salt, hydrate or solvate of the compound.

  一种用于诊断或光动力学治疗恶性肿瘤的制剂，其活性成分包括 5-氨基乙酰丙酸中至少一个碳原子为碳同位素和/或其氨基中一个氮原子为氮同位素的化合物，或该化合物的酯、酰胺、盐、水合物或溶液。
• HAIR RESTORER
  申请人：Ito, Yoshiyasu

  公开号：EP1743621A1

  公开（公告）日：2007-01-17

  The object of the present invention is to provide a hair restorer which exhibits a stimulatory effect on hair restoration against hair loss, hair thinning, split ends, hair graying, etc. , with higher stability and safety than those of known hair restorers containing 5-aminolevulinic acids as active components. By using 5-aminolevulinic acid or its salt or its derivative, and a composition containing iron sodium diethylenetriaminepentaacetate or iron ammonium diethylenetriaminepentaacetate as active components, a hair restorer and a method for restoring hair which are excellent in hair growth promotion, and stability and safety, are provided.

  本发明的目的是提供一种生发剂，它对脱发、头发稀疏、发梢分叉、头发变白等问题具有刺激性生发效果，与已知的含有 5-氨基乙酰丙酸作为活性成分的生发剂相比，具有更高的稳定性和安全性。与含有 5-氨基乙酰丙酸作为活性成分的已知生发剂相比，本发明具有更高的稳定性和安全性。通过使用 5-氨基乙酰丙酸或其盐或其衍生物，以及含有二亚乙基三胺五乙酸铁钠或二亚乙基三胺五乙酸铁铵作为活性成分的组合物，提供了一种在促进头发生长、稳定性和安全性方面都非常出色的生发剂和生发方法。
• Agent for diagnosing and treating malignant tumors
  申请人：COSMO RESEARCH INSTITUTE, COSMO OIL CO., LTD.

  公开号：US20030065029A1

  公开（公告）日：2003-04-03

  A composition of a compound or derivative thereof in which at least one carbon atom of 5-aminolevulinic acid is a carbon isotope and/or a nitrogen atom in its amino group is a nitrogen isotope, and where said derivative is an ester, amide, salt, hydrate or solvate of the compound, and a diagnostically acceptable carrier. A method for detecting malignant tumors, by administering a tumor detecting effective amount to a host in need of tumor detection of a compound or derivative thereof in which at least one carbon atom of 5-aminolevulinic acid is a carbon isotope and/or a nitrogen atom in its amino group is a nitrogen isotope, and where said derivative is an ester, amide, salt, hydrate or solvate of said compound and detecting the malignant tumors using NMR.

  一种化合物或其衍生物的组合物，其中5-氨基乙酰丙酸的至少一个碳原子是碳同位素和/或其氨基中的一个氮原子是氮同位素，且所述衍生物是该化合物的酯、酰胺、盐、水合物或溶液，以及诊断上可接受的载体。一种检测恶性肿瘤的方法，通过向需要检测肿瘤的宿主施用检测肿瘤有效量的化合物或其衍生物，其中 5-氨基乙酰丙酸的至少一个碳原子是碳同位素和/或其氨基中的氮原子是氮同位素，且所述衍生物是所述化合物的酯、酰胺、盐、水合物或溶液，并使用核磁共振检测恶性肿瘤。