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| Other Sizes |
| Targets |
Dihydroxyfumaric acid hydrate does not have a well-characterized specific biological target. As an endogenous metabolite, it is involved in metabolic pathways and may be associated with oxidative stress and metabolic regulation. It is structurally related to fumaric acid, which is an intermediate in the citric acid cycle. Further studies are needed to elucidate its specific molecular targets and biological functions.
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| ln Vitro |
In vitro studies of dihydroxyfumaric acid hydrate are limited. As an endogenous metabolite, it may be studied for its role in metabolic regulation and oxidative stress. The compound exhibits solubility in water, ethanol, and various organic solvents, making it versatile in biochemistry and biotechnology. It supports studies in metabolic regulation, enzymology, and disease mechanisms linked to reactive oxygen species.
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| ln Vivo |
In vivo activity data for dihydroxyfumaric acid hydrate are limited. As an endogenous metabolite, it is produced in the body and may be involved in various metabolic pathways. Its role in the oxidative degradation pathway in wine suggests it may be formed through oxidative processes. Further research is needed to evaluate its in vivo biological functions and potential therapeutic applications.
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| Enzyme Assay |
In vitro enzyme/receptor binding assays for dihydroxyfumaric acid hydrate are not well-established. As a metabolite, it may be used as a substrate or inhibitor in enzymatic studies related to oxidative metabolism. Further research is needed to develop specific assays for studying the molecular interactions of this compound with enzymes and other biomolecules.
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| Cell Assay |
In vitro cell-based assays for dihydroxyfumaric acid hydrate are not well-established. As a metabolite, it may be studied in cell lines for its effects on metabolic pathways and oxidative stress. Further research is needed to characterize its effects on various cell types and to identify its mechanism of action.
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| ADME/Pharmacokinetics |
Dihydroxyfumaric acid hydrate has a molecular formula of C4H4O6 (anhydrous) and a molecular weight of 166.01 (anhydrous). The CAS number is 199926-38-0. The compound appears as a powder and should be stored at 4°C. It is soluble in water, ethanol, and various organic solvents. The hydrate form enhances handling for laboratory applications. The compound is intended for research use only.
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| Toxicity/Toxicokinetics |
The toxicity profile of dihydroxyfumaric acid hydrate is not extensively characterized, as it is an endogenous metabolite. It is generally considered safe for use in biochemical research. The compound is intended for research use only and is not approved for therapeutic use in humans. Standard laboratory safety practices should be followed when handling this compound.
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| Additional Infomation |
Dihydroxyfumaric acid hydrate (CAS 199926-38-0) is an endogenously produced metabolite. It is a hydrated dicarboxylic acid derivative structurally related to fumaric acid and oxalic acid. The compound is an organic building block used for the synthesis of various chemicals and supports studies in metabolic regulation and oxidative stress. It has a molecular formula of C4H4O6 (anhydrous) and a molecular weight of 166.01.
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| Exact Mass |
166.011
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|---|---|
| CAS # |
199926-38-0
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| PubChem CID |
71311348
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| Appearance |
White to off-white solid powder
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| Melting Point |
156℃ (dec.)(lit.)
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| Hydrogen Bond Donor Count |
5
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
11
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| Complexity |
180
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| Defined Atom Stereocenter Count |
0
|
| SMILES |
C(=C(/C(=O)O)\O)(\C(=O)O)/O.O
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| InChi Key |
DDYHTXQJGPQZGN-TYYBGVCCSA-N
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| InChi Code |
InChI=1S/C4H4O6.H2O/c5-1(3(7)8)2(6)4(9)10;/h5-6H,(H,7,8)(H,9,10);1H2/b2-1+;
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| Chemical Name |
(E)-2,3-dihydroxybut-2-enedioic acid;hydrate
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light. |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
DMSO :~100 mg/mL
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (Infinity mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (Infinity mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (Infinity mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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