5-methyloctanoic Acid | 60218-42-0

• 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: 5-methyloctanoic Acid
• CAS: 60218-42-0
• 化学式: C₉H₁₈O₂
• mdl: MFCD02258712
• 分子量: 158.241
• InChiKey: GTKYBNNWJGLBNE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  11
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.888
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1-Chlor-4-methyl-hepten-(3) 在 乙醇 、 铂 作用下， 生成 5-methyloctanoic Acid
  参考文献：
  名称：

  72.羰基化合物合成的实验。第三部分 将乙酰乙酸乙酯加到山梨酸乙酯上

  摘要：

  DOI：

  10.1039/jr9500000329

文献信息

• DIHYDROPYRIDAZINE-3,5-DIONE DERIVATIVE AND PHARMACEUTICALS CONTAINING THE SAME
  申请人：CHUGAI SEIYAKU KABUSHIKI KAISHA

  公开号：US20160002251A1

  公开（公告）日：2016-01-07

  The present invention provides a dihydropyridazine-3,5-dione derivative or a salt thereof, or a solvate of the compound or the salt, a pharmaceutical drug, a pharmaceutical composition, a sodium-dependent phosphate transporter inhibitor, and a preventive and/or therapeutic agent for hyperphosphatemia, secondary hyperparathyroidism, chronic renal failure, chronic kidney disease, and arteriosclerosis associated with vascular calcification comprising the compound as an active ingredient, and a method for prevention and/or treatment.

  本发明提供了一种二氢吡啶嗪-3,5-二酮衍生物或其盐，或化合物或盐的溶剂化合物，一种药物，一种药物组合物，一种钠依赖性磷酸盐转运体抑制剂，以及作为活性成分的化合物的高磷血症、继发性甲状旁腺功能亢进症、慢性肾功能衰竭、慢性肾病和与血管钙化相关的动脉硬化的预防和/或治疗剂，以及预防和/或治疗的方法。
• Prodrugs of amino acids with affinity for the alpha2delta-protein
  申请人：Donevan D. Sean

  公开号：US20050070483A1

  公开（公告）日：2005-03-31

  This invention relates to prodrugs of certain amino acids that bind to the alpha-2-delta (α2δ) subunit of a calcium channel. These compounds and their pharmaceutically acceptable salts are useful in the treatment of a variety of psychiatric, pain and other disorders.

  本发明涉及与钙通道的α2δ亚单位结合的某些氨基酸的前药。这些化合物及其药学上可接受的盐在治疗各种精神疾病、疼痛和其他疾病方面具有用处。
• Seizure Control by Derivatives of Medium Chain Fatty Acids Associated with the Ketogenic Diet Show Novel Branching-Point Structure for Enhanced Potency
  作者：Pishan Chang、Alexandra M. E. Zuckermann、Sophie Williams、Adam J. Close、Marife Cano-Jaimez、James P. McEvoy、John Spencer、Matthew C. Walker、Robin S. B. Williams

  DOI：10.1124/jpet.114.218768

  日期：2015.1

  The medium chain triglyceride (MCT) ketogenic diet is a major treatment of drug-resistant epilepsy but is problematic, particularly in adults, because of poor tolerability. Branched derivatives of octanoic acid (OA), a medium chain fat provided in the diet have been suggested as potential new treatments for drug-resistant epilepsy, but the structural basis of this functionality has not been determined. Here we investigate structural variants of branched medium chain fatty acids as new seizure-control treatments. We initially employ a series of methyl-branched OA derivatives, and using the GABAA receptor antagonist pentylenetetrazol to induce seizure-like activity in rat hippocampal slices, we show a strong, branch-point–specific activity that improves upon the related epilepsy treatment valproic acid. Using low magnesium conditions to induce glutamate excitotoxicity in rat primary hippocampal neuronal cultures for the assessment of neuroprotection, we also show a structural dependence identical to that for seizure control, suggesting a related mechanism of action for these compounds in both seizure control and neuroprotection. In contrast, the effect of these compounds on histone deacetylase (HDAC) inhibition, associated with teratogenicity, shows no correlation with therapeutic efficacy. Furthermore, small structural modifications of the starting compounds provide active compounds without HDAC inhibitory effects. Finally, using multiple in vivo seizure models, we identify potent lead candidates for the treatment of epilepsy. This study therefore identifies a novel family of fatty acids, related to the MCT ketogenic diet, that show promise as new treatments for epilepsy control and possibly other MCT ketogenic diet-responding conditions, such as Alzheimer disease.

  中链甘油三酯（MCT）生酮饮食是耐药性癫痫的主要治疗方法，但由于耐受性差，存在问题，特别是在成人中。辛酸（OA）的支链衍生物是饮食中提供的一种中链脂肪，已被建议作为耐药性癫痫的潜在新疗法，但这种功能的结构基础尚未确定。在这里，我们研究支链中链脂肪酸的结构变体作为新的癫痫控制治疗方法。我们首先使用一系列甲基支化的 OA 衍生物，并使用 GABAA 受体拮抗剂戊四唑在大鼠海马切片中诱导癫痫样活性，我们显示出强烈的分支点特异性活性，该活性优于相关癫痫治疗丙戊酸。使用低镁条件在大鼠原代海马神经元培养物中诱导谷氨酸兴奋毒性以评估神经保护作用，我们还表现出与癫痫控制相同的结构依赖性，表明这些化合物在癫痫控制和神经保护方面的相关作用机制。相反，这些化合物对与致畸性相关的组蛋白脱乙酰酶（HDAC）抑制的作用与治疗效果没有相关性。此外，起始化合物的小结构修饰提供了没有HDAC抑制作用的活性化合物。最后，使用多个体内癫痫模型，我们确定了治疗癫痫的有效先导候选药物。因此，这项研究确定了一个与 MCT 生酮饮食相关的新型脂肪酸家族，该家族有望成为控制癫痫和其他可能对 MCT 生酮饮食有反应的疾病（例如阿尔茨海默病）的新疗法。
• [EN] PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF<br/>[FR] PROMEDICAMENTS D'ANALOGUES DE GABA, COMPOSITIONS ET UTILISATIONS DESDITS PROMEDICAMENTS
  申请人：XENOPORT INC

  公开号：WO2002100347A2

  公开（公告）日：2002-12-19

  The present invention provides prodrugs of GABA analogs, pharmaceutical compositions of prodrugs of GABA analogs and methods for making prodrugs of GABA analogs. The present invention also provides methods for using prodrugs of GABA analogs and methods for using phannaceutical compositions of prodrugs of GABA analogs for treating or preventing common diseases and/or disorders.

  本发明提供了GABA类似物的前药，前药的制药组合物以及制备GABA类似物前药的方法。本发明还提供了使用GABA类似物前药的方法以及使用前药的制药组合物治疗或预防常见疾病和/或疾病的方法。
• Pyrimidine nucleoside derivatives having anti-tumor activity, their preparation and use
  申请人：Sankyo Company Limited

  公开号：EP0536936A1

  公开（公告）日：1993-04-14

  Compounds of formula (I): [in which: R¹, R² and R³ are the same or different and each represents a hydrogen atom, an optionally substituted alkanoyl group or an alkenylcarbonyl group, provided that at least one of R¹, R² and R³ represents an unsubstituted alkanoyl group having from 5 to 24 carbon atoms, said substituted alkanoyl group or said alkenylcarbonyl group; and one of R⁴ and R⁵ represents a hydrogen atom and the other represents a cyano group]; have valuable anti-tumour activity.

  式子（I）的化合物：[其中：R¹、R²和R³相同或不同，每个代表氢原子、可选取代的脂肪酰基团或烯基羰基团，前提是至少有一个R¹、R²和R³代表有5到24个碳原子的未取代脂肪酰基团，或者是所述取代的脂肪酰基团或所述烯基羰基团；R⁴和R⁵中的一个代表氢原子，另一个代表氰基]，具有有价值的抗肿瘤活性。