Physicochemical Properties
| Molecular Formula | C16H20CLN3O4S |
| Molecular Weight | 385.87 |
| Exact Mass | 385.09 |
| Elemental Analysis | C, 49.80; H, 5.22; Cl, 9.19; N, 10.89; O, 16.59; S, 8.31 |
| CAS # | 2505001-54-5 |
| Related CAS # | 2505001-54-5 |
| PubChem CID | 155194738 |
| Appearance | White to off-white solid powder |
| LogP | 0.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Heavy Atom Count | 25 |
| Complexity | 609 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | CS(=O)(=O)N1CCN(CC1)C(=O)CNC(=O)/C=C/C2=CC(=CC=C2)Cl |
| InChi Key | DURMLOBZTVQDGQ-AATRIKPKSA-N |
| InChi Code | InChI=1S/C16H20ClN3O4S/c1-25(23,24)20-9-7-19(8-10-20)16(22)12-18-15(21)6-5-13-3-2-4-14(17)11-13/h2-6,11H,7-10,12H2,1H3,(H,18,21)/b6-5+ |
| Chemical Name | (E)-3-(3-chlorophenyl)-N-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]prop-2-enamide |
| Synonyms | SR-15006; SR15006; SR 15006 |
| 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
| ln Vitro | SR15006 (1 μM or 10 μM; DLD-1 CRC cells) significantly reduces the levels of tested cyclins over the course of 72 hours[1]. |
| References |
[1]. The Novel Small-Molecule SR18662 Efficiently Inhibits the Growth of Colorectal Cancer In Vitro and In Vivo. Mol Cancer Ther. 2019;18(11):1973-1984. |
Solubility Data
| Solubility (In Vitro) | DMSO: ~100 mg/mL (~259.2 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (6.48 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 (6.48 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 (6.48 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 | 2.5915 mL | 12.9577 mL | 25.9155 mL | |
| 5 mM | 0.5183 mL | 2.5915 mL | 5.1831 mL | |
| 10 mM | 0.2592 mL | 1.2958 mL | 2.5915 mL |