Physicochemical Properties
| Molecular Formula | C30H35CL2N3O9 |
| Molecular Weight | 652.5196 |
| Exact Mass | 651.175 |
| CAS # | 161511-45-1 |
| PubChem CID | 10189783 |
| Appearance | White to off-white solid powder |
| LogP | 4.7 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 18 |
| Heavy Atom Count | 44 |
| Complexity | 996 |
| Defined Atom Stereocenter Count | 3 |
| SMILES | CCOC(=O)C[C@@H](C(=O)COC(=O)C1=C(C=CC=C1Cl)Cl)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)OCC2=CC=CC=C2 |
| InChi Key | VMKPCENEHPIWJT-DOPYIHRPSA-N |
| InChi Code | InChI=1S/C30H35Cl2N3O9/c1-5-42-24(37)14-22(23(36)16-43-29(40)25-20(31)12-9-13-21(25)32)34-27(38)18(4)33-28(39)26(17(2)3)35-30(41)44-15-19-10-7-6-8-11-19/h6-13,17-18,22,26H,5,14-16H2,1-4H3,(H,33,39)(H,34,38)(H,35,41)/t18-,22-,26-/m0/s1 |
| Chemical Name | [(3S)-5-ethoxy-3-[[(2S)-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoyl]amino]-2,5-dioxopentyl] 2,6-dichlorobenzoate |
| 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 (e.g. under nitrogen), avoid exposure to moisture and light. |
| 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 Vivo | Carrageenin-induced paw oedema is potently reduced by SDZ 224-015 (0.3-300 μg/kg)[2]. In the Randall-Selitto yeast-inflamed paw pressure test, SDZ 224-015 (0.2–5 mg/kg, po) exhibits analgesic efficacy; this effect becomes significant at 1 mg/kg[2]. |
| References |
[1]. Bispecific repurposed medicines targeting the viral and immunological arms of COVID-19. Sci Rep. 2021 Jun 24;11(1):13208. [2]. Reduction of inflammation and pyrexia in the rat by oral administration of SDZ 224-015, an inhibitor of the interleukin-1 beta converting enzyme. Br J Pharmacol. 1995 Jun;115(4):601-6. |
Solubility Data
| Solubility (In Vitro) | DMSO : 100 mg/mL (153.25 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (3.83 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 | 1.5325 mL | 7.6626 mL | 15.3252 mL | |
| 5 mM | 0.3065 mL | 1.5325 mL | 3.0650 mL | |
| 10 mM | 0.1533 mL | 0.7663 mL | 1.5325 mL |