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Salicyluric acid 487-54-7

Salicyluric acid 487-54-7

CAS No.: 487-54-7

Salicyluric acid is an endogenously produced metabolite.
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Salicyluric acid is an endogenously produced metabolite.

Physicochemical Properties


Molecular Formula C9H9NO4
Molecular Weight 195.17
Exact Mass 195.053
CAS # 487-54-7
Related CAS # Salicyluric acid-13C2,15N;1286521-95-6
PubChem CID 10253
Appearance White to off-white solid powder
Density 1.401 g/cm3
Boiling Point 489.8ºC at 760 mmHg
Melting Point 164-169 °C
Flash Point 250ºC
Vapour Pressure 2.08E-10mmHg at 25°C
LogP 0.597
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 3
Heavy Atom Count 14
Complexity 229
Defined Atom Stereocenter Count 0
InChi Key ONJSZLXSECQROL-UHFFFAOYSA-N
InChi Code

InChI=1S/C9H9NO4/c11-7-4-2-1-3-6(7)9(14)10-5-8(12)13/h1-4,11H,5H2,(H,10,14)(H,12,13)
Chemical Name

2-[(2-hydroxybenzoyl)amino]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

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 Salicyluric acid is an N-acylglycine in which the acyl group is specified as 2-hydroxybenzoyl. It has a role as a uremic toxin and a human xenobiotic metabolite. It is a N-acylglycine and a secondary carboxamide. It is functionally related to a glycine. It is a conjugate acid of a salicylurate.
Salicyluric acid has been reported in Cunila and Trypanosoma brucei with data available.
Salicylurate is a metabolite found in or produced by Saccharomyces cerevisiae.

Solubility Data


Solubility (In Vitro) DMSO: 100 mg/mL (512.37 mM)
Solubility (In Vivo) Solubility in Formulation 1: ≥ 2.5 mg/mL (12.81 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 (12.81 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 (12.81 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 5.1237 mL 25.6187 mL 51.2374 mL
5 mM 1.0247 mL 5.1237 mL 10.2475 mL
10 mM 0.5124 mL 2.5619 mL 5.1237 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.