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2,6-Dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid hydrate 50887-69-9

2,6-Dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid hydrate 50887-69-9

CAS No.: 50887-69-9

2,6-Dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid hydrate is an endogenously produced metabolite.
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2,6-Dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid hydrate is an endogenously produced metabolite.

Physicochemical Properties


Molecular Formula C5H6N2O5
Molecular Weight 174.11
Exact Mass 174.027
CAS # 50887-69-9
Related CAS # 2,6-Dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid hydrate-15N2
PubChem CID 16218504
Appearance White to off-white solid powder
Density 1.642 g/cm3
Boiling Point 656.9ºCat 760 mmHg
Melting Point >300 °C(lit.)
Flash Point 351.1ºC
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 1
Heavy Atom Count 12
Complexity 268
Defined Atom Stereocenter Count 0
InChi Key YXUZGLGRBBHYFZ-UHFFFAOYSA-N
InChi Code

InChI=1S/C5H4N2O4.H2O/c8-3-1-2(4(9)10)6-5(11)7-3;/h1H,(H,9,10)(H2,6,7,8,11);1H2
Chemical Name

2,4-dioxo-1H-pyrimidine-6-carboxylic acid;hydrate
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: Please store this product in a sealed and protected environment, 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


Additional Infomation See also: Orotic Acid (annotation moved to).

Solubility Data


Solubility (In Vitro) DMSO: 100 mg/mL (574.35 mM)
Solubility (In Vivo) Solubility in Formulation 1: ≥ 2.5 mg/mL (14.36 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 5.7435 mL 28.7175 mL 57.4350 mL
5 mM 1.1487 mL 5.7435 mL 11.4870 mL
10 mM 0.5743 mL 2.8717 mL 5.7435 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.