Dimethylmalonic acid
(Synonyms: 二甲基丙二酸) 目录号 : GC60779
Dimethylmalonicacid是人血清中的短链二羧酸。Dimethylmalonicacid也是在肺泡呼吸中检测到的挥发性有机化合物。
Cas No.:595-46-0
Sample solution is provided at 25 µL, 10mM.
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Quality Control & SDS
- View current batch:
- Purity: >98.00%
- COA (Certificate Of Analysis)
- SDS (Safety Data Sheet)
- Datasheet
Dimethylmalonic acid is a short-chain dicarboxylic acid in human serum. Dimethylmalonic acid is also a volatile organic compound detected in alveolar breath[1].
[1]. David A. Evans, et al. An Improved Procedure for the Preparation of 2,2-Bis[2-[4(S)- tert-butyl-1,3-oxazolinyl]]propane [(S,S)-tert-Butylbis(oxazoline)] and Derived Copper(II) Complexes. J. Org. Chem. 1998, 63, 13, 4541-4544.
| Cas No. | 595-46-0 | SDF | |
| 别名 | 二甲基丙二酸 | ||
| Canonical SMILES | O=C(O)C(C)(C)C(O)=O | ||
| 分子式 | C5H8O4 | 分子量 | 132.11 |
| 溶解度 | 储存条件 | Store at -20°C | |
| General tips | 请根据产品在不同溶剂中的溶解度选择合适的溶剂配制储备液；一旦配成溶液，请分装保存，避免反复冻融造成的产品失效。 储备液的保存方式和期限：-80°C 储存时，请在 6 个月内使用，-20°C 储存时，请在 1 个月内使用。 为了提高溶解度，请将管子加热至37℃，然后在超声波浴中震荡一段时间。 |
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| Shipping Condition | 评估样品解决方案：配备蓝冰进行发货。所有其他可用尺寸：配备RT，或根据请求配备蓝冰。 | ||
| 制备储备液 | |||
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1 mg | 5 mg | 10 mg |
| 1 mM | 7.5694 mL | 37.8472 mL | 75.6945 mL |
| 5 mM | 1.5139 mL | 7.5694 mL | 15.1389 mL |
| 10 mM | 0.7569 mL | 3.7847 mL | 7.5694 mL |
| 第一步：请输入基本实验信息（考虑到实验过程中的损耗，建议多配一只动物的药量） | ||||||||||
| 给药剂量 | mg/kg |  |
动物平均体重 | g | |
每只动物给药体积 | ul | |
动物数量 | 只 |
| 第二步：请输入动物体内配方组成（配方适用于不溶于水的药物；不同批次药物配方比例不同，请联系GLPBIO为您提供正确的澄清溶液配方） | ||||||||||
| % DMSO % % Tween 80 % saline | ||||||||||
| 计算重置 | ||||||||||
计算结果:
工作液浓度： mg/ml；
DMSO母液配制方法： mg 药物溶于 μL DMSO溶液（母液浓度 mg/mL，
体内配方配制方法：取 μL DMSO母液，加入 μL PEG300，混匀澄清后加入μL Tween 80，混匀澄清后加入 μL saline，混匀澄清。
1. 首先保证母液是澄清的；
2.
一定要按照顺序依次将溶剂加入，进行下一步操作之前必须保证上一步操作得到的是澄清的溶液，可采用涡旋、超声或水浴加热等物理方法助溶。
3. 以上所有助溶剂都可在 GlpBio 网站选购。
Poly[[aqua(micro-2,2-dimethylmalonato)barium(II)] 2,2-dimethylmalonic acid solvate]
Acta Crystallogr C 2008 Dec;64(Pt 12):m398-400.PMID:19057069DOI:10.1107/S0108270108038857.
In the title complex, {[Ba(C(5)H(6)O(4))(H(2)O)] x C(5)H(8)O(4)}(n), the neutral Dimethylmalonic acid molecules and the dianionic (dimethylmalonato)barium metal-organic framework are linked by cocrystallization. The Ba atom, in a distorted monocapped square-antiprismatic geometry, is nine-coordinated by seven O atoms of four different dimethylmalonate groups and by two water molecules. This arrangement generates a two-dimensional layer parallel to the bc plane. Two such layers sandwich another layer composed of neutral Dimethylmalonic acid molecules that are involved in intermolecular hydrogen bonds within this layer and to neighboring layers. This complex is different from the dimethylmalonate-Ba complex reported previously. The title compound displays a novel structure type and represents a new member of the substituted malonate series of alkaline earth complexes.
NMR-Based Analysis of Pomegranate Juice Using Untargeted Metabolomics Coupled with Nested and Quantitative Approaches
Anal Chem 2020 Aug 18;92(16):11177-11185.PMID:32659075DOI:10.1021/acs.analchem.0c01553.
Pomegranate juice is a complex mixture of structurally diverse compounds appearing in various concentrations. The composition of the final product depends on several factors, such as the fruit variety and the addition of adulterants. Its diverse composition makes pomegranate juice an excellent system for assessing the potential of an analytical method for targeted and untargeted analysis. Here, we tested the ability of 1D and 2D NMR spectroscopy techniques for the targeted and untargeted metabolite analysis of pomegranate juice. The NMR spectra assignment was performed using the novel NOAH sequences and spiking with model compounds. Several metabolites, including sugars, organic acids, and amino acids, were identified and quantified in a rapid and simultaneous manner. Five internal standards were tested, with potassium hydrogen phthalate and Dimethylmalonic acid found to be the most appropriate, based on their shorter T1 relaxation times and spectral simplicity, while MnCl2 was successfully applied as a relaxation agent for the reduction of the experimental time. Among the pulse sequences that were tested for their quantitative potential, the Carr-Purcell-Meiboom-Gill gave the best results. The quantitative, QEC-HSQC experiment was also found to be very promising for mixture analysis. Additionally, the potential of 1D/2D NMR-based untargeted analysis was successfully tested on two cases, namely, differentiation between cultivars and detection of adulteration with apple juice. This study demonstrates the proof of concept for 1D and 2D NMR methods in the targeted and untargeted analysis of pomegranate juice and can be extended to other complex matrices.
Hypolipidemic activity of aliphatic dicarboxylic acids in rodents
Acta Pharm Nord 1991;3(3):141-6.PMID:1793508doi
Small molecular weight aliphatic dicarboxylic acids, i.e. Dimethylmalonic acid, diethylmalonic acid and maleic acid, afford greater than 35% reduction in serum cholesterol and triglycerides levels in CF1 mice at 20 mg/kg/day, i.p. Furthermore, these agents lowered greater than 40% serum cholesterol levels in rat after oral administration at 20 mg/kg/day. Dimethylmalonic and diethylmalonic acids lowered rat serum triglyceride levels by at least 23%. Rat tissue lipids, e.g. liver, small intestinal mucosa and aorta wall, were reduced in concentration and fecal lipids were elevated by dimethyl- and diethylmalonic acids. Rat serum lipoproteins after 14 days of treatment demonstrated reduction of VLDL and LDL cholesterol levels with elevated HDL cholesterol levels by dimethylmalonic and maleic acids. The agents also inhibited de novo hepatic enzyme activities, specifically mitochondrial citrate exchange, acetyl-CoA synthetase, ATP-dependent citrate lyase, acyl-CoA:cholesterol acyltransferase, cholesterol-7 alpha-hydroxyase, sn-glycerol-3-phosphate acyltransferase and phosphatidate phosphohydrolase, which would result in the reduction of de novo synthesis of fatty acids, cholesterol and triglycerides.
Estimates of methyl 13C and 1H CSA values (Deltasigma) in proteins from cross-correlated spin relaxation
J Biomol NMR 2004 Dec;30(4):397-406.PMID:15630560DOI:10.1007/s10858-004-4349-x.
Simple pulse schemes are presented for the measurement of methyl (13)C and (1)H CSA values from (1)H-(13)C dipole/(13)C CSA and (1)H-(13)C dipole/(1)H CSA cross-correlated relaxation. The methodology is applied to protein L and malate synthase G. Average (13)C CSA values are considerably smaller for Ile than Leu/Val (17 vs 25 ppm) and are in good agreement with previous solid state NMR studies of powders of amino acids and dipeptides and in reasonable agreement with quantum-chemical DFT calculations of methyl carbon CSA values in peptide fragments. Small averaged (1)H CSA values on the order of 1 ppm are measured, consistent with a solid state NMR determination of the methyl group (1)H CSA in Dimethylmalonic acid.
Temperature-Controlled Assembly/Reassembly of Two Dicarboxylate-Based Three-Dimensional Co(II) Coordination Polymers with an Antiferromagnetic Metallic Layer and a Ferromagnetic Metallic Chain
Polymers (Basel) 2019 May 2;11(5):795.PMID:31052601DOI:10.3390/polym11050795.
Two new dicarboxylate-based three-dimensional cobalt coordination polymers, [Co(Me2mal)(bpe)0.5(H2O)]n (1) and [Co(Me2mal)(bpe)0.5]n (2), were synthesized from Dimethylmalonic acid (H2-Me2mal) in temperature-controlled solvothermal reactions. Lower temperatures (6080 °C) favored the formation of 1, while higher temperatures (120 °C) favored the production of 2. Compound 1 is comprised of Co(II) corrugated layers linked by syn-anti carboxylate bridges from the Me2mal2- ligands and pillared through bis-monodentate bpe groups. Compound 2 is comprised of a three-dimensional network involving one-dimensional Co-carboxylate chains bonded by antisymmetric µ4-Me2mal2- ligands and aligned parallel to the [001] direction. The solvothermal retreatment of crystalline samples of 1 in a DMF/H2O solvent at 120 °C allowed the structural reassembly, with complete conversion within 2 over 48 h. Magnetic analyses revealed that compound 1 exhibits both spin-orbital coupling and antiferromagnetic interactions through a syn-anti carboxylate (Me2mal2-) bridge exchange pathway [Co-Co separation of 5.478 Å] and compound 2 showed a ferromagnetic interaction resulting from the short Co-Co separation (3.150 Å) and the small Co-O-Co bridging angles (98.5° and 95.3°) exchange pathway which was provided by µ4-Me2mal2- bridging ligand.