10β,17β-dihydroxyestra-1,4-dien-3-one (DHED) is a brain-targeted estrogen precursor. 10β,17β-dihydroxyestra-1,4-dien-3-one (DHED), the major biological precursor of 17β-estradiol, reduces hot flashes in rats with brain thermoregulatory dysfunction.

Physicochemical Properties

Molecular Formula	C18H24O3
Molecular Weight	288.38
Exact Mass	288.172
CAS #	549-02-0
PubChem CID	11851170
Appearance	White to yellow solid powder
Density	1.2±0.1 g/cm3
Boiling Point	485.3±45.0 °C at 760 mmHg
Flash Point	261.4±25.2 °C
Vapour Pressure	0.0±2.8 mmHg at 25°C
Index of Refraction	1.607
LogP	1.82
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	21
Complexity	549
Defined Atom Stereocenter Count	6
SMILES	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)C=C[C@]34O
InChi Key	UIKDFTLKOKNUJP-UGDFAFBOSA-N
InChi Code	InChI=1S/C18H24O3/c1-17-8-7-15-13(14(17)4-5-16(17)20)3-2-11-10-12(19)6-9-18(11,15)21/h6,9-10,13-16,20-21H,2-5,7-8H2,1H3/t13-,14-,15-,16-,17-,18+/m0/s1
Chemical Name	(8S,9S,10S,13S,14S,17S)-10,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[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

ln Vivo	10β,17β-dihydroxyestra-1,4-dien-3-one (DHED) is an inactive bioprecursor medication that exclusively converts in the brain to 17β-estradiol. One viable way to deliver E2 to the brain specifically for heat relief could be to use DHED as an E2 bioprecursor [1].
References	[1]. Treatment with an orally bioavailable prodrug of 17β-estradiol alleviates hot flushes without hormonal effects in the periphery. Sci Rep. 2016 Aug 1;6:30721.

Solubility Data

Solubility (In Vitro)

DMSO: 100 mg/mL (346.76 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (7.21 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 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. Solubility in Formulation 2: ≥ 2.08 mg/mL (7.21 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 3: ≥ 2.08 mg/mL (7.21 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	3.4676 mL	17.3382 mL	34.6765 mL
	5 mM	0.6935 mL	3.4676 mL	6.9353 mL
	10 mM	0.3468 mL	1.7338 mL	3.4676 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.