3-hydroxy-3,4-dimethylpentanoic acid | 65371-45-1

• 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: 3-hydroxy-3,4-dimethylpentanoic acid
• 英文别名: 3-hydroxy-3,4-dimethyl-valeric acid；3-Hydroxy-3,4-dimethyl-valeriansaeure；β-Oxy-β.γ-dimethyl-n-valeriansaeure；β-Oxy-β.γ-dimethyl-butan-α-carbonsaeure；β-Methyl-β-isopropyl-hydracrylsaeure；2.3-Dimethyl-pentanol-(3)-saeure-(5)
• CAS: 65371-45-1
• 化学式: C₇H₁₄O₃
• 分子量: 146.186
• InChiKey: ARJHZOQTMKOGOQ-UHFFFAOYSA-N

物化性质

• 沸点：
  257.3±23.0 °C(Predicted)
• 密度：
  1.069±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  10
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-hydroxy-3,4-dimethylpentanoic acid 在 硫酸 作用下， 生成 4-hydroxy-3,4-dimethyl-valeric acid
  参考文献：
  名称：

  Schryver, Journal of the Chemical Society, 1893, vol. 63, p. 1336

  摘要：

  DOI：
• 作为产物：
  描述：

  methyl 3-hydroxy-3,4-dimethylpentanoate 在 氢氧化钾 、 水 作用下， 反应 1.5h， 生成 3-hydroxy-3,4-dimethylpentanoic acid
  参考文献：
  名称：

  胶质胶草的新哌嗪二酮代谢物

  摘要：

  酚（3），其γγ二甲基烯丙基醚（7），和bisdethiobis（甲硫基）dehydrogliotoxin（10），与所述羟基羧酸（13）一起，已经从分离粘帚deliquescens。

  DOI：

  10.1039/p19810000218

文献信息

• ALCOHOL DERIVATIVES AS KV7 POTASSIUM CHANNEL OPENERS
  申请人：H. Lundbeck A/S

  公开号：US20210032196A1

  公开（公告）日：2021-02-04

  The present invention provides novel compounds which activate the Kv7 potassium channels. Separate aspects of the invention are directed to pharmaceutical compositions comprising said compounds and uses of the compounds to treat disorders responsive to the activation of Kv7 potassium channels.

  本发明提供了激活Kv7钾通道的新化合物。该发明的不同方面涉及包含所述化合物的药物组合物以及利用这些化合物治疗对Kv7钾通道激活敏感的疾病。
• Synthesis and antitumour activity of β-hydroxyisovalerylshikonin analogues
  作者：Zhen Rao、Xin Liu、Wen Zhou、Jing Yi、Shao-Shun Li

  DOI：10.1016/j.ejmech.2011.05.065

  日期：2011.9

  β-hydroxyisovalerylshikonin analogues bearing oxygen-containing substituents at the side-chain hydroxyl of shikonin were designed and synthesized. The cytotoxicities of these compounds were evaluated in vitro against multi-drug resistant (MDR) cell lines DU-145 and HeLa. Most compounds exhibited significant inhibitory activity on both cell lines. The structure–activity relationship showed the analogues with ether substituents

  设计并合成了一系列新型的β-羟基异戊基紫草素类似物，这些类似物在紫草素的侧链羟基上带有含氧取代基。在体外评估了这些化合物对多药耐药（MDR）细胞DU-145和HeLa的细胞毒性。大多数化合物对两种细胞系均显示出显着的抑制活性。构效关系表明，带有醚取代基的类似物对DU-145表现出最强的抗肿瘤活性和选择性细胞毒性。在具有醚取代基的化合物中，增加带有β-羟基的碳中的空间位阻或用乙酰氧基或甲氧基代替β-羟基会导致细胞毒性下降。
• Selenium Regulates Expression in Rat Liver of Genes for Proteins Involved in Iron Metabolism
  作者：Merrill J. Christensen、Cari A. Olsen、David V. Hansen、Blake C. Ballif

  DOI：10.1385/bter:74:1:55

  日期：——

  Suppression subtractive hybridization analysis in our laboratory recently revealed that transferrin mRNA may be elevated in Se-deficient rat liver. In this work, we compared expression in rat liver of genes for transferrin, transferrin receptor, ferritin light and heavy chains, and iron-regulatory proteins 1 and 2 in Se adequacy and deficiency. Weanling male Sprague-Dawley rats were fed Torula yeast diets supplemented with 0 or 0.15 mu g Se/kg diet as sodium selenite for 15 wk. Activity of cellular glutathione peroxidase was virtually abolished in Se-deficient rat liver, whereas activity of glutathione S-transferase was 43% higher than in Se-adequate liver. There were no differences in hematocrit, hemoglobin, or liver iron content. To examine differential gene expression, we used a multiplex relative reverse transcriptase-polymerase chain reaction method. Three of the six genes examined showed modest but consistent upregulation in Se deficiency. Transferrin mRNA was 30% more abundant in Se-deficient than in Se-adequate liver. For the transferrin receptor, the difference was 32%, and for iron regulatory protein 1, it was 63%. No consistent differences were observed for iron regulatory protein 2 or for ferritin light or heavy chain. These findings suggest a possible role for dietary Se in moderating iron metabolism.
• [EN] ALCOHOL DERIVATIVES AS KV7 POTASSIUM CHANNEL OPENERS<br/>[FR] DÉRIVÉS D'ALCOOL UTILISÉS EN TANT QU'OUVREURS DES CANAUX POTASSIQUES KV7
  申请人：H LUNDBECK AS

  公开号：WO2021023617A1

  公开（公告）日：2021-02-11

  The present invention provides novel compounds which activate the Kv7 potassium channels, Separate aspects of the invention are directed to pharmaceutical compositions comprising said compounds and uses of the compounds to treat disorders responsive to the activation of Kv7 potassium channels.