2,5-Furandicarboxylic acid is a novel and potent biomass-derived diacid

Physicochemical Properties

Molecular Formula	C6H4O5
Molecular Weight	156.09296
Exact Mass	156.005
CAS #	3238-40-2
PubChem CID	76720
Appearance	White to light yellow solid powder
Density	1.6±0.1 g/cm3
Boiling Point	419.2±30.0 °C at 760 mmHg
Melting Point	>310°C (dec.)
Flash Point	207.3±24.6 °C
Vapour Pressure	0.0±1.0 mmHg at 25°C
Index of Refraction	1.581
LogP	-0.02
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	11
Complexity	167
Defined Atom Stereocenter Count	0
InChi Key	CHTHALBTIRVDBM-UHFFFAOYSA-N
InChi Code	InChI=1S/C6H4O5/c7-5(8)3-1-2-4(11-3)6(9)10/h1-2H,(H,7,8)(H,9,10)
Chemical Name	furan-2,5-dicarboxylic 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
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

Cell Assay	- Bacterial strain construction: Raoultella ornithinolytica BF60 was genetically engineered by introducing heterologous genes involved in 5-hydroxymethylfurfural (HMF) oxidation to enhance 2,5-Furandicarboxylic acid (FDCA) production [1] - Seed culture preparation: The engineered R. ornithinolytica BF60 strain was inoculated into LB medium and cultured at 37°C with shaking (200 rpm) for 12 hours to obtain seed culture [1] - Fermentation process: The seed culture was inoculated into fermentation medium (containing glucose, peptone, yeast extract, and other nutrients) at a 5% (v/v) inoculum ratio; 5-hydroxymethylfurfural (HMF) was added as the substrate to a final concentration of 10-30 g/L; fermentation was conducted at 30°C with shaking (200 rpm) for 48-72 hours [1] - Sampling and detection: Samples were taken at regular intervals during fermentation; the culture supernatant was separated by centrifugation, and FDCA concentration was determined by high-performance liquid chromatography (HPLC) with a C18 column and UV detection at 254 nm [1]
References	[1]. Metabolic Engineering of Raoultella ornithinolytica BF60 for Production of 2,5-Furandicarboxylic Acid from 5-Hydroxymethylfurfural. Appl Environ Microbiol. 2016 Dec 15;83(1):e02312-16.
Additional Infomation	Furan-2,5-dicarboxylic acid is a member of the class of furans carrying two carboxy substituents at positions 2 and 5. It has a role as a human urinary metabolite. It is a member of furans and a dicarboxylic acid. It is a conjugate acid of a furan-2,5-dicarboxylate. 2,5-Furandicarboxylic acid has been reported in Phomopsis velata with data available. - 2,5-Furandicarboxylic acid (FDCA) is a bio-based platform chemical derived from renewable biomass resources [1] - In the study, metabolically engineered R. ornithinolytica BF60 efficiently converted HMF to FDCA; the maximum FDCA yield reached 28.5 g/L with a molar conversion rate of 92% from 30 g/L HMF in shake flask fermentation [1] - The biosynthesis of FDCA in the engineered strain involves a two-step oxidation pathway: HMF is first oxidized to 5-formylfuroic acid (FFA), then further oxidized to FDCA by oxidoreductases expressed from the heterologous genes [1] - FDCA is a potential substitute for petroleum-derived terephthalic acid, widely used in the synthesis of biodegradable polyesters (e.g., polyethylene furanoate, PEF), plastics, and other materials [1]

Solubility Data

Solubility (In Vitro)

May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples

Solubility (In Vivo)

Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples. Injection Formulations (e.g. IP/IV/IM/SC) Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] *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. Injection Formulation 5: 2-Hydroxypropyl-β-cyclodextrin : Saline = 50 : 50 (i.e. 500 μL 2-Hydroxypropyl-β-cyclodextrin → 500 μL Saline) Injection Formulation 6: DMSO : PEG300 : castor oil : Saline = 5 : 10 : 20 : 65 (i.e. 50 μL DMSO → 100 μLPEG300 → 200 μL castor oil → 650 μL Saline) Injection Formulation 7: Ethanol : Cremophor : Saline = 10： 10 : 80 (i.e. 100 μL Ethanol → 100 μL Cremophor → 800 μL Saline) Injection Formulation 8: Dissolve in Cremophor/Ethanol (50 : 50), then diluted by Saline Injection Formulation 9: EtOH : Corn oil = 10 : 90 (i.e. 100 μL EtOH → 900 μL Corn oil) Injection Formulation 10: EtOH : PEG300：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL EtOH → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Oral Formulations Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). Oral Formulation 3: Dissolved in PEG400 Oral Formulation 4: Suspend in 0.2% Carboxymethyl cellulose Oral Formulation 5: Dissolve in 0.25% Tween 80 and 0.5% Carboxymethyl cellulose Oral Formulation 6: Mixing with food powders Note: Please be aware that the above formulations are for reference only. InvivoChem strongly recommends customers to read literature methods/protocols carefully before determining which formulation you should use for in vivo studies, as different compounds have different solubility properties and have to be formulated differently.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	6.4066 mL	32.0328 mL	64.0656 mL
	5 mM	1.2813 mL	6.4066 mL	12.8131 mL
	10 mM	0.6407 mL	3.2033 mL	6.4066 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.