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Tetrahydrocortisone 53-05-4

Tetrahydrocortisone 53-05-4

CAS No.: 53-05-4

Tetrahydrocortisone is a stress hormone and a urinary metabolite of Cortisone generated by the reduction of Cortisone by
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Tetrahydrocortisone is a stress hormone and a urinary metabolite of Cortisone generated by the reduction of Cortisone by 5-reductase.

Physicochemical Properties


Molecular Formula C21H32O5
Molecular Weight 364.47578
Exact Mass 364.225
CAS # 53-05-4
Related CAS # Tetrahydrocortisone-d5;Tetrahydrocortisone-d6;Tetrahydrocortisone acetate;17736-20-8
PubChem CID 5866
Appearance White to off-white solid powder
Density 1.249g/cm3
Boiling Point 544.5ºC at 760mmHg
Melting Point 190°C
Flash Point 297.1ºC
Index of Refraction 1.569
LogP 1.861
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 2
Heavy Atom Count 26
Complexity 632
Defined Atom Stereocenter Count 8
SMILES

C[C@]12CC[C@H](C[C@H]1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O

InChi Key SYGWGHVTLUBCEM-ZIZPXRJBSA-N
InChi Code

InChI=1S/C21H32O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-15,18,22-23,26H,3-11H2,1-2H3/t12-,13-,14+,15+,18-,19+,20+,21+/m1/s1
Chemical Name

(3R,5R,8S,9S,10S,13S,14S,17R)-3,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one
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


References

[1]. Characteristic metabolites in miscarriages. WO2018199849A1.

Additional Infomation Urocortisone is a 21-hydroxy steroid.

Solubility Data


Solubility (In Vitro) DMSO : ~50 mg/mL (~137.18 mM)
Solubility (In Vivo) Solubility in Formulation 1: ≥ 1.25 mg/mL (3.43 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 12.5 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: ≥ 1.25 mg/mL (3.43 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 12.5 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: ≥ 1.25 mg/mL (3.43 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 12.5 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 2.7436 mL 13.7182 mL 27.4363 mL
5 mM 0.5487 mL 2.7436 mL 5.4873 mL
10 mM 0.2744 mL 1.3718 mL 2.7436 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.