Aromatase-IN-2 is a potent aromatase inhibitor (antagonist) with IC50 of 1.5 µM.

Physicochemical Properties

Molecular Formula	C17H22N2O
Molecular Weight	270.369
Exact Mass	270.17
Elemental Analysis	C, 75.52; H, 8.20; N, 10.36; O, 5.92
CAS #	121768-39-6
PubChem CID	2998104
Appearance	White to off-white to be determined
LogP	2.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	20
Complexity	345
Defined Atom Stereocenter Count	0
InChi Key	GYWQBPYNAGLBSC-MSNLLQCJSA-N
InChi Code	InChI=1S/C17H22N2O/c20-16(19-11-12-1-3-18-4-2-12)17-8-13-5-14(9-17)7-15(6-13)10-17/h1-4,13-15H,5-11H2,(H,19,20)/t13-,14+,15-,17?
Chemical Name	(3r,5r,7r)-N-(pyridin-4-ylmethyl)adamantane-1-carboxamide
Synonyms	WAY-604116; WAY 604116; WAY604116;
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]. 3- and 4-pyridylalkyl adamantanecarboxylates: inhibitors of human cytochrome P450(17 alpha) (17 alpha-hydroxylase/C17,20-lyase). Potential nonsteroidal agents for the treatment of prostatic cancer. J Med Chem. 1996 Aug 16;39(17):3319-23.

Solubility Data

Solubility (In Vitro)

DMSO : ~100 mg/mL (~369.86 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (9.25 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 (9.25 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 (9.25 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	3.6986 mL	18.4932 mL	36.9864 mL
	5 mM	0.7397 mL	3.6986 mL	7.3973 mL
	10 mM	0.3699 mL	1.8493 mL	3.6986 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.