Physicochemical Properties
| Molecular Formula | C12H18CLNO2 |
| Molecular Weight | 243.731 |
| Exact Mass | 243.103 |
| CAS # | 58020-43-2 |
| PubChem CID | 162846 |
| Appearance | White to off-white solid powder |
| Density | 1.184g/cm3 |
| Boiling Point | 392ºC at 760mmHg |
| Flash Point | 190.9ºC |
| Index of Refraction | 1.556 |
| LogP | 2.858 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Heavy Atom Count | 16 |
| Complexity | 218 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | ClC1=C(C(O)CNC(C)(C)C)C=CC(O)=C1 |
| InChi Key | LIXBJWRFCNRAPA-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C12H18ClNO2/c1-12(2,3)14-7-11(16)9-5-4-8(15)6-10(9)13/h4-6,11,14-16H,7H2,1-3H3 |
| Chemical Name | 4-[2-(tert-butylamino)-1-hydroxyethyl]-3-chlorophenol |
| Synonyms | Hoku81; Hoku-81; Hoku 81 |
| 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 Vitro | On isolated guinea pig tracheal smooth muscle preparations, HOKU-81 (4-hydroxytuloterol) has a relaxing effect that is roughly eight times stronger than tuloterol, twice as powerful as albuterol, and roughly as strong as isoproterenol [1]. |
| References |
[1]. Pharmacological studies of 1-(2-chloro-4-hydroxyphenyl)-2-t-butylaminoethanol (HOKU-81), a new bronchodilator. 1st Communication: Bronchodilator and cardiovascular actions. Arzneimittelforschung. 1980;30(8):1272-8. [2]. Gomi Y, Shirahase H, Funato H. Effects of 1-(2-chloro-4-hydroxyphenyl)-t-butylaminoethanol (HOKU-81), a new bronchodilator, on isolated trachea and atria of guinea pig. Jpn J Pharmacol. 1979 Aug;29(4):515-24. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~50 mg/mL (~205.15 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (10.26 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 (10.26 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 (10.26 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 | 4.1029 mL | 20.5145 mL | 41.0290 mL | |
| 5 mM | 0.8206 mL | 4.1029 mL | 8.2058 mL | |
| 10 mM | 0.4103 mL | 2.0515 mL | 4.1029 mL |