RU-58841 is a new specific a candidate of choice for the treatment of acne, androgenetic alopecia and hirsutism. The potent localized inhibition of sebaceous glands by RU 58841 displays the excellent potential of this compound as a topical drug for the treatment of acne and other androgen-mediated disorders.

Physicochemical Properties

Molecular Formula	C17H18F3N3O3
Molecular Weight	369.3442
Exact Mass	369.13
Elemental Analysis	C, 55.28; H, 4.91; F, 15.43; N, 11.38; O, 13.00
CAS #	154992-24-2
Related CAS #	154992-24-2
PubChem CID	132981
Appearance	White to off-white solid powder
Density	1.4±0.1 g/cm3
Boiling Point	493.6±55.0 °C at 760 mmHg
Flash Point	252.3±31.5 °C
Vapour Pressure	0.0±1.3 mmHg at 25°C
Index of Refraction	1.560
LogP	1.39
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Heavy Atom Count	26
Complexity	611
Defined Atom Stereocenter Count	0
SMILES	FC(C1=C(C#N)C([H])=C([H])C(=C1[H])N1C(N(C([H])([H])C([H])([H])C([H])([H])C([H])([H])O[H])C(C([H])([H])[H])(C([H])([H])[H])C1=O)=O)(F)F
InChi Key	ARBYGDBJECGMGA-UHFFFAOYSA-N
InChi Code	InChI=1S/C17H18F3N3O3/c1-16(2)14(25)23(15(26)22(16)7-3-4-8-24)12-6-5-11(10-21)13(9-12)17(18,19)20/h5-6,9,24H,3-4,7-8H2,1-2H3
Chemical Name	4-[3-(4-hydroxybutyl)-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile
Synonyms	RU-58841; RU 58841; RU58841;
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

Castro GA, Ferreira LA. Novel vesicular and particulate drug delivery systems for topical treatment of acne. Expert Opin Drug Deliv. 2008 Jun;5(6):665-79. doi: 10.1517/17425247.5.6.665 . Review. PubMed PMID: 18532922.

Solubility Data

Solubility (In Vitro)

DMSO : ≥ 100 mg/mL (~270.75 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (6.77 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 (6.77 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 (6.77 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	2.7075 mL	13.5377 mL	27.0753 mL
	5 mM	0.5415 mL	2.7075 mL	5.4151 mL
	10 mM	0.2708 mL	1.3538 mL	2.7075 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.