PeptideDB

Dipyrocetyl 486-79-3

Dipyrocetyl 486-79-3

CAS No.: 486-79-3

Dipycecetyl is an anti~inflammatory and analgesic agent from patent WO 2011132171 A1.
Data collection:peptidedb@qq.com

This product is for research use only, not for human use. We do not sell to patients.

Dipycecetyl is an anti~inflammatory and analgesic agent from patent WO 2011132171 A1.

Physicochemical Properties


Molecular Formula C11H10O6
Molecular Weight 238.1935
Exact Mass 238.048
CAS # 486-79-3
PubChem CID 68093
Appearance White to off-white solid powder
Density 1.344g/cm3
Boiling Point 400ºC at 760mmHg
Flash Point 156.7ºC
Vapour Pressure 4.07E-07mmHg at 25°C
Index of Refraction 1.543
LogP 1.235
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 5
Heavy Atom Count 17
Complexity 324
Defined Atom Stereocenter Count 0
SMILES

O=C(O)C1=CC=CC(OC(C)=O)=C1OC(C)=O

InChi Key NYIZXMGNIUSNKL-UHFFFAOYSA-N
InChi Code

InChI=1S/C11H10O6/c1-6(12)16-9-5-3-4-8(11(14)15)10(9)17-7(2)13/h3-5H,1-2H3,(H,14,15)
Chemical Name

2,3-diacetyloxybenzoic 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 2,3-diacetyloxybenzoic acid is a carboxylic ester, a member of salicylates and a member of benzoic acids.

Solubility Data


Solubility (In Vitro) DMSO : ~100 mg/mL (~419.83 mM)
Solubility (In Vivo) Solubility in Formulation 1: ≥ 2.5 mg/mL (10.50 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 (10.50 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 (10.50 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 4.1983 mL 20.9916 mL 41.9833 mL
5 mM 0.8397 mL 4.1983 mL 8.3967 mL
10 mM 0.4198 mL 2.0992 mL 4.1983 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.