3-(己酰氧基)-4-(三甲基铵基)丁酸酯 | 6418-78-6

• 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: 3-(己酰氧基)-4-(三甲基铵基)丁酸酯
• 英文名称: Hexanoylcarnitine
• 英文别名: 3-hexanoyloxy-4-(trimethylazaniumyl)butanoate
• CAS: 6418-78-6
• 化学式: C13H25NO4
• 分子量: 259.34
• InChiKey: VVPRQWTYSNDTEA-UHFFFAOYSA-N

物化性质

• 碰撞截面：
  166.06 Ų [M]+ [CCS Type: TIMS, Method: single field calibrated]

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  18
• 可旋转键数：
  9
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  66.4
• 氢给体数：
  0
• 氢受体数：
  4

文献信息

• Acylcarnitines as absorption-enhancing agents for drug delivery through mucous membranes of the nasal, buccal, sublingual and vaginal compartments
  申请人：Merck & Co., Inc.

  公开号：EP0215697A2

  公开（公告）日：1987-03-25

  Acylcarnitine used as a nasal, buccal, sublingual and vaginal drug absorption enhancing vehicle for poorly absorbed drugs.

  酰基肉碱可用作鼻腔、口腔、舌下和阴道药物吸收促进剂，用于吸收不良的药物。
• Acyl carnitine esterase, production thereof and method for analyzing acyl carnitines
  申请人：ASAHI KASEI KOGYO KABUSHIKI KAISHA

  公开号：EP0480676A2

  公开（公告）日：1992-04-15

  An acylcarnitine esterase which has a substrate specificity to acyl-L-carnitines including short chain acyl-L-carnitines inclusive of acetyl-L-carnitine and propionyl-L-carnitine and which catalyzes the hydrolysis reaction of one mole of the acyl-L-carnitines with one mole of water to form one mole of the corresponding fatty acid and one mole of L-carnitine.

  一种酰基肉碱酯酶，它对酰基-L-肉碱（包括乙酰基-L-肉碱和丙酰基-L-肉碱在内的短链酰基-L-肉碱）具有底物特异性，可催化一摩尔酰基-L-肉碱与一摩尔水的水解反应，生成一摩尔相应的脂肪酸和一摩尔 L-肉碱。
• Use of propionyl L-carnitine for regaining muscle tone in immobilised patients
  申请人：SIGMA TAU Industrie Farmaceutiche Riunite S.p.A.

  公开号：EP0517125A1

  公开（公告）日：1992-12-09

  The oral or parenteral administration of acyl L-carnitine, for example of propionyl L-carnitine (10-30 mg/Kg of body weight/day), allows rapid regain of muscle tone in patients suffering long periods of immobilisation, for example patients with fractures.

  口服或肠道外注射酰基左旋肉碱，例如丙酰左旋肉碱（10-30 毫克/千克体重/天），可使长期固定的患者（如骨折患者）迅速恢复肌肉张力。
• A pharmaceutical preparation comprising an acylcarnitine
  申请人：Kuratsune, Hirohiko

  公开号：EP0681839A2

  公开（公告）日：1995-11-15

  A pharmaceutical preparation comprising an acylcarnitine or a pharmacologically acceptable salt thereof is administered orally or parenterally to treat or prevent a symptom caused by acylcarnitine metabolic dysfunction. The acylcarnitine may be acetylcarnitine, propionylcarnitine, butyrylcarnitine, isobutyrylcarnitine, valerylcarnitine, isovalerylcarnitine, hexanoylcarnitine and so on.

  口服或肠外给药包含酰基肉碱或其药理学上可接受的盐的药物制剂，用于治疗或预防酰基肉碱代谢功能障碍引起的症状。酰基肉碱可以是乙酰肉碱、丙酰肉碱、丁酰肉碱、异丁酰肉碱、戊酰肉碱、异戊酰肉碱、己酰肉碱等。
• Labelled acyl-L-carnitine and diagnostic agent
  申请人：Japan Science and Technology Corporation

  公开号：EP0770400A2

  公开（公告）日：1997-05-02

  The present invention provides a labelled acyl-L-carnitine, which is an acyl-L-carnitine, a salt thereof or a derivative thereof, of which carbon group is labelled with a radionuclide or a stable isotope. It is possible to diagnose human diseases falling under acyl-carnitine metabolic syndrome, or human diseases due to structural/functional disorder of the brain by measuring the behavior of the labelled acyl-L-carnitine in various tissues or a biological sample from a subject administered with one or more kinds of the labelled acyl-L-carnitines.

  本发明提供了一种标记的酰基-L-肉碱，它是一种酰基-L-肉碱、其盐或其衍生物，其碳基被放射性核素或稳定同位素标记。通过测量被标记的酰基-L-肉碱在各种组织或生物样本中的表现，可以诊断属于酰基-L-肉碱代谢综合征的人类疾病，或由于大脑结构/功能紊乱引起的人类疾病。