Benzyl 5-amino-4-oxopentanoate

• 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
• 化学式: C₁₂H₁₅NO₃
• 分子量: 221.25
• InChiKey: AFFZCQDLQIEQGB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  16
• 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：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  硫酸酯 、 Benzyl 5-amino-4-oxopentanoate 生成 benzyl 5-amino-4-oxopentanoate sulfate
  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pKa约为5或更低（优选约为3或更低）的酸的酸加成盐，但酸不是盐酸。特别优选的盐是来自于磺酸及其衍生物、氢溴酸、硫酸、硝酸和磷酸的酸所衍生的盐。根据本发明的盐特别适用于作为光敏剂在诊断和光化学治疗身体内外表面的疾病或异常中使用。

  公开号：

  US08692014B2

文献信息

• [EN] 5-ALA DERIVATIVES AND USE THEREOF<br/>[FR] DÉRIVÉS DE 5-ALA ET LEUR UTILISATION
  申请人：UNIV GENEVE

  公开号：WO2016185368A1

  公开（公告）日：2016-11-24

  The present invention is directed to new 5-ALA derivatives, particles and formulation thereof, related methods of preparation and methods of use thereof. In particular, the invention relates to compounds of the invention, particles and formulation thereof useful in the treatment of a cancer and/or the diagnosis of a cancer cell such as in photodynamic therapy or photodynamic diagnosis.

  本发明涉及新的5-ALA衍生物，以及相关的制备方法、使用方法。具体而言，本发明涉及本发明的化合物、粒子和配方，用于治疗癌症和/或诊断癌细胞，例如在光动力疗法或光动力诊断中有用的粒子和配方。
• 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。
• TRIAZOLE-ISOXAZOLE COMPOUND AND MEDICAL USE THEREOF
  申请人：JAPAN TOBACCO INC.

  公开号：US20160137639A1

  公开（公告）日：2016-05-19

  A compound represented by Formula [I]: or pharmaceutically acceptable salt thereof, wherein each symbol is as defined in the description.

  由式[I]表示的化合物： 或其药学上可接受的盐，其中每个符号如描述中所定义。
• DERIVATIVE OF STYRENE-MALEIC ACID COPOLYMER
  申请人：Maeda Hiroshi

  公开号：US20160317672A1

  公开（公告）日：2016-11-03

  The present invention provides a group of novel SMA derivatives and a covalent conjugate of the derivatives and an active substance. More specifically, the present invention provides: an SMA derivative which contains (i) a styrene-maleic acid copolymer (SMA) and (ii) a side chain (b) that contains a functional group (a) selected from among —NH2, —SH, —OH, —COOH, —NH—(C═NH)—NH 2 and —C(CH 2 —OH) 3 and introduced into a carboxyl group of a maleic acid residue of the SMA via an amide bond or an ester bond, and wherein when a plurality of side chain (b) is introduced into the SMA, the side chains (b) may be identical or different from each other; and a conjugate of this SMA derivative and an active substance.

  本发明提供了一组新型SMA衍生物以及这些衍生物和活性物质的共价结合物。具体来说，本发明提供了：一种包含（i）苯乙烯-马来酸共聚物（SMA）和（ii）含有从—NH2、—SH、—OH、—COOH、—NH—(C═NH)—NH2和—C(CH2—OH)3中选择的官能团（a）的侧链（b），并通过酰胺键或酯键引入到SMA的马来酸残基的羧基中的SMA衍生物，当引入多个侧链（b）到SMA中时，这些侧链（b）可以相同也可以不同；以及这种SMA衍生物和活性物质的共价结合物。
• [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。