Budiodarone tartrate, the tartrate salt of Budiodarone (ATI-2042; ATI2042), which is an analogue of amiodarone used as antiarrhythmic agent. Budiodarone has the potential to prevent fibrillation.
Physicochemical Properties
| Molecular Formula | C31H37I2NO11 |
| Molecular Weight | 853.434534788132 |
| Exact Mass | 853.045 |
| CAS # | 478941-93-4 |
| Related CAS # | Budiodarone;335148-45-3 |
| PubChem CID | 25227360 |
| Appearance | White to yellow solid powder |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 16 |
| Heavy Atom Count | 45 |
| Complexity | 812 |
| Defined Atom Stereocenter Count | 3 |
| SMILES | CC[C@H](C)OC(=O)CC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCCN(CC)CC)I.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O |
| InChi Key | CAMFTHAPYYLIIG-YRSVLNEHSA-N |
| InChi Code | InChI=1S/C27H31I2NO5.C4H6O6/c1-5-17(4)34-24(31)16-23-25(19-10-8-9-11-22(19)35-23)26(32)18-14-20(28)27(21(29)15-18)33-13-12-30(6-2)7-3;5-1(3(7)8)2(6)4(9)10/h8-11,14-15,17H,5-7,12-13,16H2,1-4H3;1-2,5-6H,(H,7,8)(H,9,10)/t17-;1-,2-/m01/s1 |
| Chemical Name | [(2S)-butan-2-yl] 2-[3-[4-[2-(diethylamino)ethoxy]-3,5-diiodobenzoyl]-1-benzofuran-2-yl]acetate;(2R,3R)-2,3-dihydroxybutanedioic 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 | The half-life of briodalone (ATI-2042) tartrate flower is only 7 hours, and its distribution volume is only 13 L/kg [1]. |
| References |
[1]. A randomized trial of budiodarone in paroxysmal atrial fibrillation. J Interv Card Electrophysiol. 2012 Jun;34(1):1-9. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~100 mg/mL (~117.17 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1 mg/mL (1.17 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 10.0 mg/mL clear DMSO stock solution to 400 μL of PEG300 and mix evenly; then add 50 μL of Tween-80 to the above solution and mix evenly; then add 450 μL of 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: ≥ 1 mg/mL (1.17 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 10.0 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: ≥ 1 mg/mL (1.17 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 10.0 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 | 1.1717 mL | 5.8587 mL | 11.7174 mL | |
| 5 mM | 0.2343 mL | 1.1717 mL | 2.3435 mL | |
| 10 mM | 0.1172 mL | 0.5859 mL | 1.1717 mL |