2-Furoylglycine is a urinary metabolite in humans and a recognized biomarker of coffee consumption.

Physicochemical Properties

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	163-165ºC(lit.)
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
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)

Biological Activity

Targets	Human Endogenous Metabolite
ln Vitro	2-Furoylglycine is an intermediate that can be utilized in the production of HCV NS5b RNA polymerase non-nucleoside inhibitors[2].
References	[1]. 2-Furoylglycine as a Candidate Biomarker of Coffee Consumption. J Agric Food Chem. 2015 Sep 30;63(38):8615-21. [2]. Fragment-based discovery of hepatitis C virus NS5b RNA polymerase inhibitors. Bioorg Med Chem Lett. 2008 May 1;18(9):2990-5.
Additional Infomation	N-(2-furoyl)glycine is a glycine derivative that is the carboxamide obtained by the formal condensation of the amino group of glycine with 2-furoic acid. It has a role as a human metabolite. It is a N-acylglycine and a member of furans. It is functionally related to a 2-furoic acid. It is a conjugate acid of a N-(2-furoyl)glycinate. N-(2-Furoyl)glycine has been reported in Bos taurus with data available.

Solubility Data

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. 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. 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 corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.)

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.