乙酰基肉碱 | 4398-79-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 乙酰基肉碱
• 英文名称: acetylcarnitine
• 英文别名: D-acetyl carnitine；L-acetylcarnitine；O-Acetyl-carnitin；acetyl-l-carnitine；acetyl D-carnitine；Levacecarnine；Acetyl-d-carnitine；(3S)-3-acetyloxy-4-(trimethylazaniumyl)butanoate
• CAS: 4398-79-2
• 化学式: C₉H₁₇NO₄
• 分子量: 203.238
• InChiKey: RDHQFKQIGNGIED-QMMMGPOBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  66.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  乙酰基肉碱 、 DL-肉碱 生成 [2-acetyloxy-4-[1-carboxy-3-(trimethylazaniumyl)propan-2-yl]oxy-4-oxobutyl]-trimethylazanium;dichloride
  参考文献：
  名称：

  FRANCIA, G.

  摘要：

  DOI：
• 作为产物：
  描述：

  DL-肉碱 、 乙酰氯 生成 乙酰基肉碱
  参考文献：
  名称：

  FRANCIA, G.

  摘要：

  DOI：

文献信息

• Use of lower alkanoyl l-carnitines to produce a medicament suitable for the therapeutic treatment of retinopathies
  申请人：Sigma-Tau Industrie Farmaceutiche Riunite S.p.A.

  公开号：EP0848952A1

  公开（公告）日：1998-06-24

  The use of lower alkanoyl L-carnitines (e.g. acetyl L-carnitine) and the pharmacologically acceptable salts thereof to produce a medicament suitable for the therapeutic treatment of retinopathies, e.g. the age-related maculopathy (ARM) and non-age-related maculopathy (nARM), is disclosed.

  本发明公开了低级烷酰基左旋肉碱（例如乙酰左旋肉碱）及其药理学上可接受的盐类的用途，以生产一种适用于治疗视网膜病变的药物，例如老年性黄斑病变（ARM）和非老年性黄斑病变（nARM）。
• Composition comprising as active ingredient L-carnitine in combination with hydroxykynurenine-O-beta-DL-glucoside, for the prevention and/or treatment of pathologies of the eye due to ultraviolet radiation
  申请人：SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A.

  公开号：EP2363126A1

  公开（公告）日：2011-09-07

  It is described a composition in the form of eye drops or ointment, comprising as active ingredients L-carnitine or a physiologically acceptable salt thereof; and 3-Hydroxykynurenine O-β -DL-glucoside, useful for preventing or treating pathologies of the eyes due to ultraviolet radiation.

  本文描述了一种滴眼液或眼膏形式的组合物，其活性成分包括左旋肉碱或其生理上可接受的盐；以及 3-羟基犬尿氨酸 O-β -DL 葡萄糖苷，可用于预防或治疗紫外线辐射引起的眼部病变。
• Method and use of metabolites for the diagnosis of inflammatory brain injury in preterm born infants
  申请人：BIOCRATES Life Sciences AG

  公开号：EP2492690A1

  公开（公告）日：2012-08-29

  The present invention relates to novel biomarkers for predicting the likelihood of inflammation-related brain injury in preterm born infants, using a plurality of endogenous target metabolites selected from the group consisting of acyl carnitins, diacylphosphatidylcholines, acyl-alkylphosphatidylchoines, lysophosphatidylcholines and amino acids.

  本发明涉及预测早产儿发生炎症相关脑损伤可能性的新型生物标记物，该标记物使用选自酰基肉毒蛋白、二酰基磷脂酰胆碱、酰基烷基磷脂酰胆碱、溶血磷脂酰胆碱和氨基酸组成的组中的多种内源性靶代谢物。
• Physiological supplement or medicament for ophthalmic use containing L-carnitine or alkanoyl L-carnitines in combination with eledoisin
  申请人：SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A.

  公开号：EP2783695A1

  公开（公告）日：2014-10-01

  Use of L-carnitine and/or of one or more alkanoyl L-carnitines or one of their pharmaceutically acceptable salts in combination with eledoisin, for the preparation of an opthalmic physiological supplement or medicament in the form of eye-drops, for the treatment of corneal diseases.

  将左旋肉碱和/或一种或多种烷酰基左旋肉碱或它们的一种药学上可接受的盐与依来多辛结合使用，制备眼科生理补充剂或眼药水形式的药物，用于治疗角膜疾病。
• Predicting human developmental toxicity of pharmaceuticals using human stem-like cells and metabolomics
  申请人：STEMINA BIOMARKER DISCOVERY, INC.

  公开号：US10473641B2

  公开（公告）日：2019-11-12

  The invention provides biomarker profiles of metabolites and methods for screening chemical compounds including pharmaceutical agents, lead and candidate drug compounds and other chemicals using human stem-like cells (hSLCs) or lineage-specific cells produced therefrom. The inventive methods are useful for testing toxicity, particularly developmental toxicity and detecting teratogenic effects of such chemical compounds. Specifically, a more predictive developmental toxicity model, based on an in vitro method that utilizes both hSLCs and metabolomics to discover biomarkers of developmental toxicity is disclosed.

  本发明提供了代谢物的生物标志物图谱，以及利用类人干细胞（hSLCs）或由其产生的系特异性细胞筛选化学化合物（包括药剂、先导药物和候选药物化合物及其他化学品）的方法。本发明的方法可用于测试毒性，特别是发育毒性，以及检测此类化合物的致畸效应。具体来说，本发明公开了一种更具预测性的发育毒性模型，该模型基于体外方法，利用类干细胞和代谢组学发现发育毒性的生物标志物。