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 |