| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
Human Endogenous Metabolite
2-Furoylglycine does not have a specific pharmacological target as it is a metabolite and biomarker rather than a therapeutic drug. It is a human metabolite and serves as a biomarker of exposure to furans, which are industrial chemicals and food-processing byproducts. Elevated levels may indicate oxidative stress, altered gut microbiota metabolism, or environmental toxin exposure. |
|---|---|
| ln Vitro |
2-Furoylglycine is an intermediate that can be utilized in the production of HCV NS5b RNA polymerase non-nucleoside inhibitors[2].
In vitro activity of 2-Furoylglycine is not evaluated as a bioactive compound with pharmacological effects. It is classified as an endogenous metabolite. Its utility lies in its role as a biomarker and as an intermediate used to prepare non-nucleoside inhibitors of HCV NS5b RNA polymerase. Its "activity" is reflected in its presence in biological samples. |
| ln Vivo |
In vivo, 2-Furoylglycine is a human metabolite detected in urine. It reflects exposure to furans, which are industrial chemicals and food-processing byproducts. Elevated levels may indicate oxidative stress, altered gut microbiota metabolism, or environmental toxin exposure. It is not a therapeutic agent but is measured as a marker of exposure and metabolic status.
|
| Enzyme Assay |
In vitro enzyme assays with 2-Furoylglycine typically involve studying glycine conjugation pathways or enzymes involved in furan metabolism. The compound can be used as a substrate or product in assays to characterize the activity of these enzymes. Standard assays involve incubating the compound with enzyme preparations and analyzing the products by HPLC or LC-MS.
|
| Cell Assay |
2-Furoylglycine is not typically used in cell culture experiments as a bioactive compound. However, it may be employed in studies investigating the metabolism of furans or glycine conjugation pathways. Cells could be treated with the compound to assess its effects on cellular metabolism or to study its formation from furan exposure. Its primary use is as a biomarker and analytical standard.
|
| Animal Protocol |
In vivo animal experiments with 2-Furoylglycine typically involve exposing animals to furans and measuring 2-furoylglycine levels in urine as a biomarker of exposure. Alternatively, the compound itself could be administered to study its pharmacokinetics and metabolism. These studies are used to understand furan metabolism and its potential toxicological effects.
|
| ADME/Pharmacokinetics |
The pharmacokinetic (PK) properties of 2-Furoylglycine reflect its role as a metabolite. Following exposure to furans, 2-furoylglycine is formed through glycine conjugation and excreted in urine. Its presence in urine reflects recent furan exposure. Its half-life in the body is relatively short, consistent with its role as a metabolite of a rapidly cleared parent compound.
|
| Toxicity/Toxicokinetics |
2-Furoylglycine has a low toxicity profile as it is a naturally occurring human metabolite. It is not considered a hazardous substance. For research use, standard laboratory safety practices are sufficient. It has a molecular weight of 169.13 and is classified as an endogenous metabolite. Comprehensive toxicology studies have not been published for this compound.
|
| References | |
| Additional Infomation |
N-(2-furanoyl)glycine is a glycine derivative, a carboxamide obtained by the condensation of glycine amino group and 2-furanoic acid. It is a human metabolite. It is an N-acylglycine, belonging to the furan family of compounds. Functionally, it is related to 2-furanoic acid. It is the conjugate acid of N-(2-furanoyl)glycine ester. There are reports and data regarding the presence of N-(2-furanoyl)glycine in bovine animals (Bos taurus).
2-Furoylglycine is a human metabolite and a glycine derivative formed from 2-furoic acid and glycine. It serves as a biomarker of exposure to furans, which are industrial chemicals and food-processing byproducts. It is also an intermediate used to prepare non-nucleoside inhibitors of HCV NS5b RNA polymerase. The compound is not a drug and has no therapeutic indications. |
| Molecular Formula |
C7H7NO4
|
|---|---|
| Molecular Weight |
169.13
|
| Exact Mass |
169.038
|
| CAS # |
5657-19-2
|
| PubChem CID |
21863
|
| Appearance |
White to light yellow solid powder
|
| Density |
1.28g/cm3
|
| Boiling Point |
440.6ºC at 760 mmHg
|
| Melting Point |
163 - 165 °C
|
| Flash Point |
220.3ºC
|
| Index of Refraction |
1.676
|
| LogP |
0.484
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
4
|
| Rotatable Bond Count |
3
|
| Heavy Atom Count |
12
|
| Complexity |
192
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
C1=COC(=C1)C(=O)NCC(=O)O
|
| InChi Key |
KSPQDMRTZZYQLM-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C7H7NO4/c9-6(10)4-8-7(11)5-2-1-3-12-5/h1-3H,4H2,(H,8,11)(H,9,10)
|
| Chemical Name |
2-(furan-2-carbonylamino)acetic acid
|
| HS Tariff Code |
2934.99.9001
|
| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: (1). This product requires protection from light (avoid light exposure) during transportation and storage. (2). Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture. |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
|
| Solubility (In Vitro) |
DMSO: 100 mg/mL (591.26 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (14.78 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 (14.78 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 (14.78 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 5.9126 mL | 29.5631 mL | 59.1261 mL | |
| 5 mM | 1.1825 mL | 5.9126 mL | 11.8252 mL | |
| 10 mM | 0.5913 mL | 2.9563 mL | 5.9126 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
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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