Cortodoxone is a glucocorticoid that can be oxidized to cortisone (Hydrocortisone).

Physicochemical Properties

Molecular Formula	C21H30O4
Molecular Weight	346.46
Exact Mass	346.214
CAS #	152-58-9
Related CAS #	Cortodoxone-d5;1258063-56-7;Cortodoxone-d2;1271728-08-5
PubChem CID	440707
Appearance	White to off-white solid powder
Density	1.2±0.1 g/cm3
Boiling Point	524.5±50.0 °C at 760 mmHg
Melting Point	205-208 °C
Flash Point	285.1±26.6 °C
Vapour Pressure	0.0±3.1 mmHg at 25°C
Index of Refraction	1.578
LogP	2.74
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	25
Complexity	652
Defined Atom Stereocenter Count	6
SMILES	C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C
InChi Key	WHBHBVVOGNECLV-OBQKJFGGSA-N
InChi Code	InChI=1S/C21H30O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-17,22,25H,3-10,12H2,1-2H3/t15-,16+,17+,19+,20+,21+/m1/s1
Chemical Name	(8R,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-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

Targets	Human Endogenous Metabolite
ADME/Pharmacokinetics	Metabolism / Metabolites 17Beta-21-dihydroxyprogesterone is a known human metabolite of 17alpha-hydroxy-progesterone.
References	[1]. 11-Deoxycortisol induces hepatic tryptophan oxygenase in rats. Acta Pharmacol Toxicol (Copenh). 1985 Jul;57(1):36-9. [2]. 11-deoxycortisol positively correlates with T cell immune traits in physiological conditions. EBioMedicine. 2024 Jan;99:104935.
Additional Infomation	11-deoxycortisol is a deoxycortisol that is cortisol in which the hydroxy group at position 11 has been replaced by a hydrogen. It has a role as a mouse metabolite and a human metabolite. It is a glucocorticoid, a primary alpha-hydroxy ketone, a tertiary alpha-hydroxy ketone and a deoxycortisol. Cortexolone is a metabolite found in or produced by Escherichia coli (strain K12, MG1655). Cortodoxone has been reported in Homo sapiens with data available. Cortodoxone is a glucocorticoid that is an intermediate in the biosynthesis of cortisol in the adrenal gland. 17,21-Dihydroxypregn-4-ene-3,20-dione. A 17-hydroxycorticosteroid with glucocorticoid and anti-inflammatory activities.

Solubility Data

Solubility (In Vitro)

DMSO: 50 mg/mL (144.32 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (6.00 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 20.8 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 2: ≥ 2.08 mg/mL (6.00 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 20.8 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	2.8863 mL	14.4317 mL	28.8634 mL
	5 mM	0.5773 mL	2.8863 mL	5.7727 mL
	10 mM	0.2886 mL	1.4432 mL	2.8863 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.