L-carnitine isobutyric ester | 952431-17-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: L-carnitine isobutyric ester
• 英文别名: (3R)-3-(2-methylpropanoyloxy)-4-(trimethylazaniumyl)butanoate;hydrobromide
• CAS: 952431-17-3
• 化学式: Br*C₁₁H₂₂NO₄
• 分子量: 312.204
• InChiKey: SVSIPIHVNKOQHL-SBSPUUFOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.02
• 重原子数：
  17
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  66.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  L-carnitine isobutyric ester 、 3,5-二甲基金刚胺 在 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 以27%的产率得到[3-(3,5-dimethyl-adamantan-1-ylcarbamoyl)-(R)-2-hydroxy-propyl]-trimethylammonium chloride
  参考文献：
  名称：

  WO2007/117544

  摘要：

  公开号：
• 作为产物：
  描述：

  L-carnitine benzyl ester isobutyric ester 在 palladium 10% on activated carbon 氢气 作用下， 以 乙醇 为溶剂， 20.0 ℃ 、289.59 kPa 条件下， 反应 6.0h， 以82%的产率得到L-carnitine isobutyric ester
  参考文献：
  名称：

  WO2007/117544

  摘要：

  公开号：

文献信息

• Esters of acyl L-carnitines with gamma-hydroxybutyric acid and pharmaceutical compositions containing them for inhibiting neuronal degeneration and for the treatment of coma
  申请人：Sigma-Tau Industrie Farmaceutiche Riunite S.p.A.

  公开号：EP0442850A1

  公开（公告）日：1991-08-21

  The esters of acyl L-carnitines with gamma-hydroxybutyric acid in the form of pharmacologically acceptable salts of formula (I) wherein X⁻ is the anion of a pharmacologically acceptable salt, e.g. chloride, bromide, orotate, acid aspartate, acid citrate, acid phosphate, acid fumarate, lactate, acid maleate, acid oxalate, acid sulfate and glucosephosphate or in the form of inner salts of formula (I′) wherein R is a straight or branched acyl group having from 2 to 5 carbon atoms, such as e.g. acetyl, propionyl, n-butyryl, isobutyryl and isovaleryl, are active in inhibiting neuronal degeneration (as it occurs in Alzheimer's senile dementia and Parkinson's disease) and in the treatment of coma.

  酰基 L-肉碱与γ-羟基丁酸的酯，其形式为药理学上可接受的式 (I) 盐 其中 X-是药理学上可接受的盐的阴离子，如氯化物、溴化物、乳清酸盐、酸天冬氨酸盐、酸柠檬酸盐、酸磷酸盐、酸富马酸盐、乳酸盐、酸马来酸盐、酸草酸盐、酸硫酸盐和葡萄糖磷酸盐，或以式（I′）内盐的形式存在 其中 R 是具有 2 至 5 个碳原子的直链或支链酰基，如乙酰基、丙酰基、正丁酰基、异丁酰基和异戊酰基等，它们在抑制神经元变性（如阿尔兹海默氏老年痴呆症和帕金森氏病中发生的变性）和治疗昏迷方面具有活性。
• Use of esters of acyl L-carnitines with gamma-hydroxybutyric acid for producing pharmaceutical compositions for the treatment of hepatopathies
  申请人：Sigma-Tau Industrie Farmaceutiche Riunite S.p.A.

  公开号：EP0514357A1

  公开（公告）日：1992-11-19

  Esters of acyl L-carnitine with gamma-hydroxybutyric acid, both as pharmacologically acceptable salts of formula (1) and as inner salts of formula (1') wherein X⁻ is the anion of a pharmacologically acceptable acid and R is a straight or branched acyl group having from 2 to 5 carbon atoms, are used for producing pharmaceutical compositions effective for treating hepatopathies.

  酰基 L-肉碱与γ-羟基丁酸的酯，两者均为药理上可接受的式 (1) 盐 和式 (1') 的内盐 其中 X- 是药理学上可接受的酸的阴离子，R 是具有 2 至 5 个碳原子的直链或支链酰基，用于生产治疗肝病的药物组合物。
• Esters of L-carnitine and alkanoyl L-carnitines with glycolic acid or esters thereof and pharmaceutical compositions containing same for treating dermatoses
  申请人：AVANTGARDE S.p.A.

  公开号：EP0596838A2

  公开（公告）日：1994-05-11

  Ester of L-carnitine and alkanoyl L-carnitines with glycolic acid and esters thereof are disclosed, which are formulated into topically applicable pharmaceutical compositions for the treatment of dermatoses.

  本发明公开了左旋肉碱和烷酰左旋肉碱与乙醇酸的酯及其酯类，它们被配制成局部适用的药物组合物，用于治疗皮肤病。
• Esters of L-carnitine or alkanoyl L-carnitines useful as cationic lipids for the intracellular delivery of pharmacologically active compounds
  申请人：Sigma-Tau Industrie Farmaceutiche Riunite S.p.A.

  公开号：US20040186175A1

  公开（公告）日：2004-09-23

  Esters of L-carnitine and alkanoyl L-carnitines are described which can be used as cationic lipids for the intracellular delivery of pharmacologically active compounds. New esters of L-carnitine and alkanoyl L-carnitines of formula (I) are also disclosed wherein the R groups are as defined in the description. 1

  描述了可用作阳离子脂质的左旋肉碱和烷酰左旋肉碱酯，用于细胞内输送药理活性化合物。还公开了式 (I) 的 L-肉碱和烷酰基 L-肉碱的新酯，其中 R 基团如描述中所定义。 1
• Esters of L-carnitine of alkanoyl L-carnitines useful as cationic lipids for the intracellular delivery of pharmacologically active compounds
  申请人：Pisano Claudio

  公开号：US20050079209A1

  公开（公告）日：2005-04-14

  Esters of L-carnitine and alkanoyl L-carnitines are described which can be used as cationic lipids for the intracellular delivery of pharmacologically active compounds. New esters of L-carnitine and alkanoyl L-carnitines of formula (I) are also disclosed wherein the R groups are as defined in the description.

  描述了可用作阳离子脂质的左旋肉碱和烷酰左旋肉碱酯，用于细胞内输送药理活性化合物。还公开了式 (I) 的 L-肉碱和烷酰基 L-肉碱的新酯，其中 R 基团如描述中所定义。