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Aladorian (ARM036; S36; S44121-1) is a benzothiazepine analog, acting as a potent antiarrhythmic agent. Aladorian has the potential to be used for heart failure and catecholaminergic polymorphic ventricular tachycardia. Antiarrhythmic agents are a group of pharmaceuticals that are used to suppress abnormal rhythms of the heart (cardiac arrhythmias), such as atrial fibrillation, atrial flutter, ventricular tachycardia, and ventricular fibrillation.
Physicochemical Properties
| Molecular Formula | C12H13NO4S |
| Molecular Weight | 267.30092215538 |
| Exact Mass | 267.057 |
| CAS # | 865433-00-7 |
| Related CAS # | 865433-00-7 (free acid);1233219-11-8 (sodium); |
| PubChem CID | 11161474 |
| Appearance | White to light yellow solid powder |
| LogP | 1.152 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Heavy Atom Count | 18 |
| Complexity | 336 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | O=C(C(N1CCSC2C(=CC(=CC=2)OC)C1)=O)O |
| InChi Key | FPWBHFYYVSNIFZ-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C12H13NO4S/c1-17-9-2-3-10-8(6-9)7-13(4-5-18-10)11(14)12(15)16/h2-3,6H,4-5,7H2,1H3,(H,15,16) |
| Chemical Name | (7-methoxy-2,3-dihydro-1,4-benzothiazepin-4(5H)-yl)oxoacetic acid |
| Synonyms | ARM036 ARM-036 ARM 036 S36 S-36 S44121-1 S44121-1 |
| 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 |
[1].Thevis M, et al. Analytical approaches for the detection of emerging therapeutics and non-approved drugs in human doping controls. J Pharm Biomed Anal. 2014 Dec;101:66-83. [2].Luo M, et al. Mechanisms of altered Ca\u00b2\u207a handling in heart failure. Circ Res. 2013 Aug 30;113(6):690-708. [3]. Analytical approaches for the detection of emerging\ntherapeutics and non-approved drugs in human doping controls. J Pharm Biomed\nAnal. 2014 Dec;1066-83. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~105 mg/mL (~392.82 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 5.25 mg/mL (19.64 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 52.5 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: 5.25 mg/mL (19.64 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 52.5 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: ≥ 5.25 mg/mL (19.64 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 52.5 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 | 3.7411 mL | 18.7056 mL | 37.4111 mL | |
| 5 mM | 0.7482 mL | 3.7411 mL | 7.4822 mL | |
| 10 mM | 0.3741 mL | 1.8706 mL | 3.7411 mL |