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Diflucortolone valerate

Cat No.:V60011 Purity: ≥98%
Diflucortolone valerate is a potent corticosteroid used in a variety of skin conditions.
Diflucortolone valerate
Diflucortolone valerate Chemical Structure CAS No.: 59198-70-8
Product category: New4
This product is for research use only, not for human use. We do not sell to patients.
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Product Description
Diflucortolone valerate is a potent corticosteroid used in a variety of skin conditions.
Biological Activity I Assay Protocols (From Reference)
ln Vitro
Difluocortolone valerate is an effective corticosteroid that has been esterified with valerate. Difluocordol valerate aids in lowering redness, swelling, and itching [1].
ln Vivo
DL50 levels are almost non-toxic after a single oral dosage (more than 4 g/kg in mice, around 3.1 g/kg in rats, and more than 1 g/kg in dogs). When administered intraperitoneally (mouse LD50 roughly 450 mg/kg, rat approximately 98 mg/kg), it is very active (mouse LD50 approximately 180 mg/kg, rat approximately 13 mg/kg). may have harmful repercussions [2].
References

[1]. Double-blind, Multicentre Analysis of the Efficacy of Borage Oil in Patients With Atopic Eczema. Br J Dermatol. 1999 Apr;140(4):685-8.

[2]. [Toxicological Examination of Pure Diflucortolone Valerate and Its Formulations as Ointment, Fatty Ointment and Cream in Animal Experiments (Author's Transl)]. Arzneimittelforschung. 1976;26(7b):1476-9.

Additional Infomation
Diflucortolone valerate is a corticosteroid hormone.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C27H36O5F2
Molecular Weight
478.56854
Exact Mass
478.253
CAS #
59198-70-8
Related CAS #
15845-96-2 (pivalate);2607-06-9;59198-70-8 (valerate);
PubChem CID
91670
Appearance
White to off-white solid powder
Density
1.2±0.1 g/cm3
Boiling Point
578.5±50.0 °C at 760 mmHg
Melting Point
220ºC
Flash Point
303.7±30.1 °C
Vapour Pressure
0.0±3.6 mmHg at 25°C
Index of Refraction
1.538
LogP
4.65
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Rotatable Bond Count
7
Heavy Atom Count
34
Complexity
943
Defined Atom Stereocenter Count
9
SMILES
CCCCC(=O)OCC(=O)[C@H]1[C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2C[C@@H](C4=CC(=O)C=C[C@@]43C)F)F)O)C)C
InChi Key
HHJIUUAMYGBVSD-YTFFSALGSA-N
InChi Code
InChI=1S/C27H36F2O5/c1-5-6-7-23(33)34-14-21(31)24-15(2)10-17-18-12-20(28)19-11-16(30)8-9-26(19,4)27(18,29)22(32)13-25(17,24)3/h8-9,11,15,17-18,20,22,24,32H,5-7,10,12-14H2,1-4H3/t15-,17+,18+,20+,22+,24-,25+,26+,27+/m1/s1
Chemical Name
[2-[(6S,8S,9R,10S,11S,13S,14S,16R,17S)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] pentanoate
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)
Solubility Data
Solubility (In Vitro)
DMSO : ~100 mg/mL (~208.96 mM)
Solubility (In Vivo)
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.22 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.

Solubility in Formulation 2: 2.08 mg/mL (4.35 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 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.

 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 2.0896 mL 10.4478 mL 20.8956 mL
5 mM 0.4179 mL 2.0896 mL 4.1791 mL
10 mM 0.2090 mL 1.0448 mL 2.0896 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.

Calculator

Molarity Calculator allows you to calculate the mass, volume, and/or concentration required for a solution, as detailed below:

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An example of molarity calculation using the molarity calculator is shown below:
What is the mass of compound required to make a 10 mM stock solution in 5 ml of DMSO given that the molecular weight of the compound is 350.26 g/mol?
  • Enter 350.26 in the Molecular Weight (MW) box
  • Enter 10 in the Concentration box and choose the correct unit (mM)
  • Enter 5 in the Volume box and choose the correct unit (mL)
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  • The answer of 17.513 mg appears in the Mass box. In a similar way, you may calculate the volume and concentration.

Dilution Calculator allows you to calculate how to dilute a stock solution of known concentrations. For example, you may Enter C1, C2 & V2 to calculate V1, as detailed below:

What volume of a given 10 mM stock solution is required to make 25 ml of a 25 μM solution?
Using the equation C1V1 = C2V2, where C1=10 mM, C2=25 μM, V2=25 ml and V1 is the unknown:
  • Enter 10 into the Concentration (Start) box and choose the correct unit (mM)
  • Enter 25 into the Concentration (End) box and select the correct unit (mM)
  • Enter 25 into the Volume (End) box and choose the correct unit (mL)
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  • The answer of 62.5 μL (0.1 ml) appears in the Volume (Start) box
g/mol

Molecular Weight Calculator allows you to calculate the molar mass and elemental composition of a compound, as detailed below:

Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
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Definitions of molecular mass, molecular weight, molar mass and molar weight:
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  • Molar mass (molar weight) is the mass of one mole of a substance and is expressed in g/mol.
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In vivo Formulation Calculator (Clear solution)
Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)
Step 2: Enter in vivo formulation (This is only a calculator, not the exact formulation for a specific product. Please contact us first if there is no in vivo formulation in the solubility section.)
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Calculation results

Working concentration mg/mL;

Method for preparing DMSO stock solution mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.

Method for preparing in vivo formulation:Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O,mix and clarify.

(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
             (2) Be sure to add the solvent(s) in order.

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