Physicochemical Properties
| Molecular Formula | C14H25NO6S |
| Molecular Weight | 335.41600 |
| Exact Mass | 335.14 |
| CAS # | 7279-75-6 |
| Related CAS # | Isoetharine;530-08-5;Isoetharine hydrochloride;50-96-4 |
| PubChem CID | 23702 |
| Appearance | White to off-white solid powder |
| Boiling Point | 429.3ºC at 760 mmHg |
| Flash Point | 156.7ºC |
| LogP | 2.883 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Heavy Atom Count | 22 |
| Complexity | 315 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | SOYAGMVKMXZVNZ-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C13H21NO3.CH4O3S/c1-4-10(14-8(2)3)13(17)9-5-6-11(15)12(16)7-9;1-5(2,3)4/h5-8,10,13-17H,4H2,1-3H3;1H3,(H,2,3,4) |
| Chemical Name | 4-[1-hydroxy-2-(propan-2-ylamino)butyl]benzene-1,2-diol;methanesulfonic acid |
| 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 Note: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| 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 Vitro | In HepG2 human hepatoma cells, isoetharine mesylate (50 μM, 18 hours) stimulates the synthesis and release of [35S] sulfated metabolites of catechol medications [1]. |
| ln Vivo | Isoetharine mesylate fully suppresses pigment formation at 7.50 mM and inhibits melanin deposition with an AC50 value of 5.10 mM in the zebrafish larval model [2]. |
| References |
[1]. Concerted actions of the catechol O-methyltransferase and the cytosolic sulfotransferase SULT1A3 in the metabolism of catecholic drugs. Biochem Pharmacol. 2012 Nov 1;84(9):1186-95. [2]. Evaluation of β-adrenergic ligands for development of pharmacological heart failure and transparency models in zebrafish. Toxicol Appl Pharmacol. 2022 Jan 1;434:115812. |
| Additional Infomation | Adrenergic beta-2 agonist used as bronchodilator for emphysema, bronchitis and asthma. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~125 mg/mL (~372.67 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (6.20 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 (6.20 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 (6.20 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 | 2.9813 mL | 14.9067 mL | 29.8134 mL | |
| 5 mM | 0.5963 mL | 2.9813 mL | 5.9627 mL | |
| 10 mM | 0.2981 mL | 1.4907 mL | 2.9813 mL |