1-戊基-5-氧代-吡咯烷-3-羧酸 | 845546-13-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 中文名称: 1-戊基-5-氧代-吡咯烷-3-羧酸
• 英文名称: 5-Oxo-1-pentylpyrrolidine-3-carboxylic acid
• CAS: 845546-13-6
• 化学式: C₁₀H₁₇NO₃
• mdl: MFCD07357567
• 分子量: 199.25
• InChiKey: FAWVVALMVHIUFV-UHFFFAOYSA-N

物化性质

• 沸点：
  384.7±35.0 °C(Predicted)
• 密度：
  1.134±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  57.6
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT

反应信息

• 作为反应物：
  描述：

  (2R,4R)-2-[(1S,2S)-2-amino-3-(3,5-difluorophenyl)-1-hydroxypropyl]-4-benzyloxypyrrolidine-1-carboxylic acid tert-butyl ester 、 1-戊基-5-氧代-吡咯烷-3-羧酸 在 N-羟基-7-氮杂苯并三氮唑 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 作用下， 生成 、
  参考文献：
  名称：

  Discovery of an orally efficaceous 4-phenoxypyrrolidine-based BACE-1 inhibitor

  摘要：

  Based on a lead compound identified from the patent literature, we developed patentably novel BACE-1 inhibitors by introducing a cyclic amine scaffold as embodied by la and 1b. Extensive SAR studies assessed a variety of isophthalamide replacements including substituted pyrrolidinones and ultimately led to the identification of 11. Due to its favorable overall profile, 11 has been extensively profiled in various in vivo settings. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.10.053

文献信息

• [EN] CYCLIC AMINE BASE-1 INHIBITORS HAVING A HETEROCYCLIC SUBSTITUENT<br/>[FR] INHIBITEURS D'AMINES CYCLIQUES BACE-1 RENFERMANT UN SUBSTITUANT HETEROCYCLIQUE
  申请人：SCHERING CORP

  公开号：WO2005014540A1

  公开（公告）日：2005-02-17

  Disclosed are novel compounds of the formula (I)or a pharmaceutically acceptable salt or solvate thereof, wherein R1 is formula (I) X is -0-, -C(R14)2- or -N(R)-; Z is -C(R14)2- or -N(R)-; t is 0, 1, 2 or 3; each R and R2 is independently H, alkyl, cycloalkyl, cycloalkylalkyl, aryl, heteroaryl, heterocycloalkyl, arylalkyl, heteroarylalkyl, heterocycloalkylalkyl, alkenyl or alkynyl; each R14 is H, alkyl, alkenyl, alkynyl, halo, -CN, haloalkyl, cycloalkyl, cycloalkylalkyl, aryl, heteroaryl, heterocycloalkyl, arylalkyl, heteroarylalkyl, heterocycloalkylalkyl, -OR35, -N(R24)(R25) or -SR35; R41 is alkyl, cycloalkyl, -S02(alkyl), -C(O)-alkyl, -C(O)-cycloalkyl or -alkyl-NH-C(O)CH3; and the remaining variables are as defined in the specification. Also disclosed are pharmaceutical compositions comprising the compounds of formula I and methods of treating cognitive or neurodegenerative diseases with compounds of formula (I). Also disclosed are pharmaceutical compositions and methods of treatment comprising compounds of formula I in combination with other agents useful in treating cognitive or neurodegenerative diseases.

  揭示了具有以下结构的新化合物（I）或其药学上可接受的盐或溶剂，其中R1为结构（I），X为-0-，-C(R14)2-或-N(R)-；Z为-C(R14)2-或-N(R)-；t为0、1、2或3；每个R和R2独立地为H、烷基、环烷基、环烷基烷基、芳基、杂环芳基、杂环烷基、芳基烷基、杂环芳基烷基、杂环烷基烷基、烯基或炔基；每个R14为H、烷基、烯基、炔基、卤素、-CN、卤代烷基、环烷基、环烷基烷基、芳基、杂环芳基、芳基烷基、杂环芳基烷基、杂环烷基烷基、-OR35、-N(R24)(R25)或-SR35；R41为烷基、环烷基、-S02(烷基)、-C(O)-烷基、-C(O)-环烷基或-烷基-NH-C(O)CH3；其余变量如规范中所定义。还揭示了包括化合物的药物组合物（I）的制剂以及使用化合物（I）治疗认知或神经退行性疾病的方法。还揭示了包括化合物（I）的药物组合物和治疗方法，其与治疗认知或神经退行性疾病有用的其他药剂结合使用。
• COSMETIC AND/OR DERMATOLOGICAL COMPOSITION CONTAINING A MEROCYANINE DERIVATIVE COMPRISING SPECIFIC POLAR GROUPS CONSISTING OF HYDROXYL- AND ETHER-FUNCTIONALITIES
  申请人：Richard Herve

  公开号：US20140294743A1

  公开（公告）日：2014-10-02

  The present invention relates to a cosmetic and/or dermatological composition comprising in a physiologically acceptable medium at least one merocyanine derivative of formula (1) or (2) and/or its E,E-, E,Z- or Z,Z-geometrical isomer forms: comprising specific polar groups consisting of hydroxyl- and ether-functionalities. Another object of the present invention relates to a cosmetic process for controlling and/or improving the darkening of the skin under exposure to UV radiation and the homogeneity of the colour of the complexion which comprises the application onto the skin of a cosmetic composition as above defined. Another object of the present invention relates to a cosmetic process for protecting the keratinic materials and particularly the skin against photo-ageing which comprises the application onto the keratinic material of a cosmetic composition as above defined.

  本发明涉及一种化妆品和/或皮肤科学组合物，其在生理上可接受的介质中包含至少一种公式（1）或（2）的merocyanine衍生物及/或其E，E-，E，Z-或Z，Z-几何异构体形式：包括由羟基和醚功能团组成的特定极性基团。本发明的另一个目的涉及一种化妆过程，用于控制和/或改善皮肤在紫外线照射下的变黑和肤色均匀性，包括在皮肤上涂抹上述定义的化妆品组合物。本发明的另一个目的涉及一种化妆过程，用于保护角质素材料，特别是皮肤免受光老化的影响，包括在角质素材料上涂抹上述定义的化妆品组合物。
• CYCLIC AMINE BACE-1 INHIBITORS HAVING A HETEROCYCLIC SUBSTITUENT
  申请人：Cumming Jared N.

  公开号：US20090312341A1

  公开（公告）日：2009-12-17

  Disclosed are novel compounds of the formula or a pharmaceutically acceptable salt or solvate thereof, wherein R 1 is X is —O—, —C(R 14 ) 2 — or —N(R)—; Z is —C(R 14 ) 2 — or —N(R)—; t is 0, 1, 2 or 3; each R and R 2 is independently H, alkyl, cycloalkyl, cycloalkylalkyl, aryl, heteroaryl, heterocycloalkyl, arylalkyl, heteroarylalkyl, heterocycloalkylalkyl, alkenyl or alkynyl; each R 14 is H, alkyl, alkenyl, alkynyl, halo, —CN, haloalkyl, cycloalkyl, cycloalkylalkyl, aryl, heteroaryl, heterocycloalkyl, arylalkyl, heteroarylalkyl, heterocycloalkylalkyl, —OR 35 , —N(R 24 ) (R 25 ) or —SR 35 ; R 41 is alkyl, cycloalkyl, —SO 2 (alkyl), —C(O)-alkyl, —C(O)-cycloalkyl or -alkyl-NH—C(O)CH 3 ; and the remaining variables are as defined in the specification. Also disclosed are pharmaceutical compositions comprising the compounds of formula I and methods of treating cognitive or neurodegenerative diseases with compounds of formula I. Also disclosed are pharmaceutical compositions and methods of treatment comprising compounds of formula I in combination with other agents useful in treating cognitive or neurodegenerative diseases.

  本发明涉及公式I的新化合物或其药学上可接受的盐或溶剂，其中R1为X为—O—，—C（R14）2—或—N（R）—；Z为—C（R14）2—或—N（R）—；t为0、1、2或3；每个R和R2独立地为H，烷基，环烷基，环烷基烷基，芳基，杂芳基，杂环烷基，芳基烷基，杂芳基烷基，杂环烷基烷基，烯基或炔基；每个R14为H，烷基，烯基，炔基，卤素，—CN，卤代烷基，环烷基，环烷基烷基，芳基，杂芳基，杂环烷基，芳基烷基，杂芳基烷基，杂环烷基烷基，—OR35，—N（R24）（R25）或—SR35；R41为烷基，环烷基，—SO2（烷基），—C（O）-烷基，—C（O）-环烷基或-烷基-NH-C（O）CH3；其余变量如规范中所定义。本发明还涉及包含公式I化合物的制药组合物以及使用公式I化合物治疗认知或神经退行性疾病的方法。本发明还涉及包含公式I化合物的制药组合物和治疗方法，其中该组合物与其他对治疗认知或神经退行性疾病有用的药物一起使用。
• [EN] COSMETIC AND/OR DERMATOLOGICAL COMPOSITION CONTAINING A MEROCYANINE DERIVATIVE COMPRISING SPECIFIC POLAR GROUPS CONSISTING OF HYDROXYL- AND ETHER-FUNCTIONALITIES<br/>[FR] COMPOSITION COSMÉTIQUE ET/OU DERMATOLOGIQUE CONTENANT UN DÉRIVÉ DE MÉROCYANINE QUI COMPREND DES GROUPES POLAIRES SPÉCIFIQUES CONSTITUÉS DE FONCTIONNALITÉS HYDROXYLE ET ÉTHER
  申请人：OREAL

  公开号：WO2013010590A1

  公开（公告）日：2013-01-24

  A cosmetic and/or dermatologigal composition comprising in a physiologically acceptable medium at least one merocyanine derivative of formula (1) or (2) and/or its Ε,Ε-, Ε,Ζ- or Z, Z - geometrical isomer forms: comprising specific polar groups consisting of hydroxyl - and ether- functionalities. A cosmetic process for controlling and/or improving the darkening of the skin under exposure to UV radiation and the homogeneity of the colour of the complexion which comprises the application onto the skin of a cosmetic composition as above defined. A cosmetic process for protecting the keratinic materials and particularly the skin against photo-ageing which comprises the application onto the keratinic material of a cosmetic composition as above defined. Use of merocyanines for protecting bodycare products from photolytic and oxidative degradation.

  一种化妆品和/或皮肤科组合物，包括生理可接受介质中的至少一种公式（1）或（2）的并环氰染料衍生物及/或其Ε，Ε-，Ε，Ζ-或Z，Z-几何异构体形式：包括由羟基和醚基构成的特定极性基团。一种化妆品过程，用于控制和/或改善皮肤在紫外线照射下的黑化和肤色的均匀性，其中包括将上述定义的化妆品组合物涂抹于皮肤上。一种化妆品过程，用于保护角蛋白材料，特别是皮肤免受光老化的影响，其中包括将上述定义的化妆品组合物涂抹于角蛋白材料上。使用并环氰染料保护身体护理产品免受光解和氧化降解的影响。
• EP2734180B1
  申请人：——

  公开号：EP2734180B1

  公开（公告）日：2021-03-31