Physicochemical Properties
| Molecular Formula | C19H22BR2N4O6S |
| Molecular Weight | 594.274181842804 |
| Exact Mass | 591.962 |
| CAS # | 1464910-32-4 |
| PubChem CID | 72714324 |
| Appearance | White to off-white solid powder |
| LogP | 2.1 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 11 |
| Heavy Atom Count | 32 |
| Complexity | 705 |
| Defined Atom Stereocenter Count | 1 |
| SMILES | C(NO)(=O)[C@H](NS(C1=CC=C(OCC2=CC(Br)=CC(Br)=C2)C=C1)(=O)=O)CCCNC(N)=O |
| InChi Key | QTXVPJOTKLUYMQ-QGZVFWFLSA-N |
| InChi Code | InChI=1S/C19H22Br2N4O6S/c20-13-8-12(9-14(21)10-13)11-31-15-3-5-16(6-4-15)32(29,30)25-17(18(26)24-28)2-1-7-23-19(22)27/h3-6,8-10,17,25,28H,1-2,7,11H2,(H,24,26)(H3,22,23,27)/t17-/m1/s1 |
| Chemical Name | (2R)-5-(carbamoylamino)-2-[[4-[(3,5-dibromophenyl)methoxy]phenyl]sulfonylamino]-N-hydroxypentanamide |
| Synonyms | JG-26; JG 26; JG26 |
| 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: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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]. Discovery of Dimeric Arylsulfonamides as Potent ADAM8 Inhibitors. ACS Med Chem Lett. 2021 Oct 8;12(11):1787-1793. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~100 mg/mL (~168.27 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (4.21 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 (4.21 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 (4.21 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 | 1.6827 mL | 8.4137 mL | 16.8274 mL | |
| 5 mM | 0.3365 mL | 1.6827 mL | 3.3655 mL | |
| 10 mM | 0.1683 mL | 0.8414 mL | 1.6827 mL |