2-aminoisobutyric acid sodium salt | 34236-96-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-aminoisobutyric acid sodium salt
• 英文别名: sodium 2-aminoisobutyrate；2-amino-2-methyl-propionic acid; sodium salt；Sodium;2-amino-2-methylpropanoate；sodium;2-amino-2-methylpropanoate
• CAS: 34236-96-9
• 化学式: C₄H₈NO₂*Na
• 分子量: 125.103
• InChiKey: ZANLVEYNPPTDCD-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -4.52
• 重原子数：
  8
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  66.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (-)-棉子素 、 2-aminoisobutyric acid sodium salt 在 sodium hydroxide 作用下， 以 甲醇 为溶剂， 反应 3.0h， 生成
  参考文献：
  名称：

  新型棉酚衍生物的合成及抗病毒活性

  摘要：

  在这项研究中，合成了一系列新颖的棉酚衍生物，并在体外对其抗HIV-1和抗H 5 N 1活性进行了筛选。用某些氨基酸取代棉酚的醛基，不仅可以降低细胞毒性，而且还可以增强对HIV-1和H 5 N 1的活性。与其他棉酚衍生物相比，化合物13 – 17对HIV-1和H 5 N 1的活性更强。同时，这些化合物还对H 5 N 1表现出更强的活性。比1-金刚烷胺。棉酚衍生物中缺少COONa基团会导致抗HIV-1活性的丧失，这表明该基团可能在介导抗病毒活性中起重要作用。添加时间分析表明，化合物13 – 17具有与T20相似的抗HIV-1作用机理。分子建模分析表明，化合物13 - 17可能适合的gp41的疏水口袋内通过氢键网络，疏水性接触性强的静电相互作用。

  DOI：

  10.1016/j.bmcl.2011.12.076
• 作为产物：
  描述：

  2-甲基丙氨酸 在 sodium hydroxide 作用下， 生成 2-aminoisobutyric acid sodium salt
  参考文献：
  名称：

  JP2016500375A5

  摘要：

  公开号：

  JP2016500375A5

文献信息

• Formation of trans(N)-bis(amino acidato)(2,2′-bipyridine)cobalt(III) complexes following the UV irradiation of amino acidatobis(2,2′bipyridine)cobalt(III) complexes in dimethyl sulfoxide
  作者：Richard M. Hartshorn、Shane G. Telfer

  DOI：10.1039/a904486h

  日期：——

  The products from the steady state photolysis of [Co(aa)(2,2′-bpy)2]2+ (aa = glycinate (gly), alaninate (ala) or 2-aminoisobutyrate (aib)) complexes in dmso have been identified, and include the trans(N)-[Co(aa)2(2,2′-bpy)]+ complex ions. This contrasts with photolyses in aqueous solution where the [Co(2,2′-bpy)3]3+ ion is produced. This solvent dependence can be attributed to the secondary reactions of the photolysis products, rather than to different photochemistry. Electrochemical data have been gathered on a range of [Co(aa)x(2,2′-bpy)y](3–x)+ compounds and are used to help rationalise the observed selectivity. Two of the products have been characterised by X-ray crystallography: (Δ-SS/Λ-RR)-trans(N)-[Co(ala)2(2,2′-bpy)]ClO4·H2O and trans(N)-[Co(aib)2(2,2′-bpy)]ClO4· NaClO4·0.5H2O.

  在二甲基亚硫酰胺（dmso）中，[Co(aa)(2,2′-bpy)2]2+（aa = 甘氨酸（gly）、丙氨酸（ala）或2-氨基异丁酸（aib））络合物的稳态光解生成的产物已被鉴定，包括trans(N)-[Co(aa)2(2,2′-bpy)]+络合物离子。这与水溶液中的光解反应形成[Co(2,2′-bpy)3]3+离子形成对比。这种溶剂依赖性可归因于光解产物的二次反应，而不是不同的光化学反应。针对一系列[Co(aa)x(2,2′-bpy)y](3–x)+化合物收集了电化学数据，以帮助解释观察到的选择性。两个产物通过X射线晶体学进行了表征：(Δ-SS/Λ-RR)-trans(N)-[Co(ala)2(2,2′-bpy)]ClO4·H2O和trans(N)-[Co(aib)2(2,2′-bpy)]ClO4·NaClO4·0.5H2O。
• Spirophosphoranylation d'α-aminoacides—I
  作者：Bernard Garrigues、Aurelio Munoz、Max Koenig、Michel Sanchez、Robert Wolf

  DOI：10.1016/0040-4020(77)80303-7

  日期：1977.1

  New spirophosphoranes have been prepared by reaction of &alpha-aminoacids with tricoordinate phosphorus substrates. In one case, 1i, an equilibrium chain-cycle PIIIPv has been observed.

  通过α-氨基酸与三配位磷底物的反应已制备了新的螺正膦。在一种情况1i中，已经观察到平衡链循环P III P v。
• Assessing the Effect of Ligand Proximity on Chiroptical and Other Properties in Cobalt(III) Model, Tyrosine-Like Complexes
  作者：František Jursík、Ronald D. Archer

  DOI：10.1135/cccc19952097

  日期：——

  A series of new cobalt(III) octahedral complexes of the general formula Na[Co(ohb-aa)₂] (ohb-aa = N-(o-hydroxybenzyl)amino acid anion); amino acid = glycine, (S)-α-alanine, α-aminoisobutyric acid, (S)-valine, (S)-norvaline and (S)-leucine) were prepared by the charcoal catalyzed reaction of the appropriate ligand with [Co(NH₃)₆]³⁺ in alkaline aqueous solution. Complexes obtained have, regardless of the amino acid used, the same facial all-trans symmetry (CoN₂O₄ chromophore) with the vicinal effects as the entire source of the optical activity. ¹³C NMR spectra reveal that the leucine derivative has, due to the steric reasons, a different ground state structure. Absorption maxima reflect a positive inductive effect from the amino acid side chain carbon atoms. Complexes of the ligands bearing electrophobic alkyl groups exhibit more negative E_1/2 in comparison with the glycine derivative, reduction of which occurs at a more positive potential. Reduction potentials do not correlate with cobalt(III) Lewis acidity modulated by ligands.

  一系列新的钴（III）八面体配合物的通式为Na[Co(ohb-aa)₂]（ohb-aa = N-(o-羟基苯甲基)氨基酸根离子）；氨基酸=甘氨酸，(S)-α-丙氨酸，α-氨基异丁酸，(S)-缬氨酸，(S)-正缬氨酸和( S)-亮氨酸），通过适当配体在碱性水溶液中与[Co(NH₃)₆]³⁺在木炭催化下反应制备。无论使用哪种氨基酸，所得到的配合物具有相同的facial all-trans对称性（CoN₂O₄色团），邻位效应是光学活性的全部来源。¹³C NMR光谱显示，由于立体位阻，亮氨酸衍生物具有不同的基态结构。吸收峰反映了氨基酸侧链碳原子的正电感应效应。具有亲电性烷基基团的配体配合物与甘氨酸衍生物相比，表现出更负的E_1/2，其还原发生在更正的电位。还原电位与由配体调节的钴（III）路易斯酸性不相关。
• Synthesis and anti-H5N1 activity of chiral gossypol derivatives and its analogs implicated by a viral entry blocking mechanism
  作者：Jian Yang、Gang Chen、Long Long Li、Wei Pan、Fang Zhang、Jingxiang Yang、Shuwen Wu、Po Tien

  DOI：10.1016/j.bmcl.2013.02.101

  日期：2013.5

  A series of chiral gossypol derivatives and its analogs were synthesized and tested in vitro for their anti-H5N1 activity. Interestingly, (+)-gossypol derivatives and its analogs were more active against H5N1 than the corresponding (-)-gossypol derivatives and its analogs. Through a simple chemical modification with amino acids, less active chiral gossypol could be converted into more active derivatives, and most of chiral gossypol derivatives were more potent against H5N1 than 1-adamantylamine. With regard to the mechanism of action, chiral gossypol derivatives and its analogs might impair the virus entry step of cell infection, likely targeting to HA2 protein. (C) 2013 Elsevier Ltd. All rights reserved.
• Synthesis and antiviral activities of novel gossypol derivatives
  作者：Jian Yang、Fang Zhang、Jurong Li、Gang Chen、Shuwen Wu、Wenjie Ouyang、Wei Pan、Rui Yu、Jingxiang Yang、Po Tien

  DOI：10.1016/j.bmcl.2011.12.076

  日期：2012.2

  this study, a series of novel gossypol derivatives were synthesized and screened in vitro for their anti-HIV-1 and anti-H5N1 activities, respectively. Replacing the aldehyde groups of gossypol with some amino acids not only reduced the cytotoxicity but also enhanced the activities against HIV-1 and H5N1. Compounds 13–17 showed more potent activities against HIV-1 and H5N1 than the other gossypol derivatives

  在这项研究中，合成了一系列新颖的棉酚衍生物，并在体外对其抗HIV-1和抗H 5 N 1活性进行了筛选。用某些氨基酸取代棉酚的醛基，不仅可以降低细胞毒性，而且还可以增强对HIV-1和H 5 N 1的活性。与其他棉酚衍生物相比，化合物13 – 17对HIV-1和H 5 N 1的活性更强。同时，这些化合物还对H 5 N 1表现出更强的活性。比1-金刚烷胺。棉酚衍生物中缺少COONa基团会导致抗HIV-1活性的丧失，这表明该基团可能在介导抗病毒活性中起重要作用。添加时间分析表明，化合物13 – 17具有与T20相似的抗HIV-1作用机理。分子建模分析表明，化合物13 - 17可能适合的gp41的疏水口袋内通过氢键网络，疏水性接触性强的静电相互作用。