MLS-573151 is a novel, specific, cell permeable inhibitor of Cdc42 (IC50 = 2 μM). Other GTPases, such as the related members of the Rho family RhoA, Rac1, and Rac2, are unaffected by it. It functions by preventing GTP from binding to Cdc42.
Physicochemical Properties
| Molecular Formula | C21H19N3O2S |
| Molecular Weight | 377.45946 |
| Exact Mass | 377.119 |
| CAS # | 10179-57-4 |
| Related CAS # | 10179-57-4 |
| PubChem CID | 2837695 |
| Appearance | White to off-white solid |
| Density | 1.3±0.1 g/cm3 |
| Boiling Point | 596.3±60.0 °C at 760 mmHg |
| Flash Point | 314.5±32.9 °C |
| Vapour Pressure | 0.0±1.7 mmHg at 25°C |
| Index of Refraction | 1.669 |
| LogP | 1.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Heavy Atom Count | 27 |
| Complexity | 622 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | C1=CC=C(C=C1)C2=NN(C3=CC=C(C=C3)S(=O)(=O)N)C(C2)C4=CC=CC=C4 |
| InChi Key | OPPCVEVPKHRJNY-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C21H19N3O2S/c22-27(25,26)19-13-11-18(12-14-19)24-21(17-9-5-2-6-10-17)15-20(23-24)16-7-3-1-4-8-16/h1-14,21H,15H2,(H2,22,25,26) |
| Chemical Name | 4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)benzenesulfonamide |
| Synonyms | MLS-573151; MLS000573151 |
| 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
| Targets | Cdc42 (EC50 = 2 μM) |
| ln Vitro | MLS-573151 can effectively capture the phagocytic ability of granulosa cells. The fluorescence intensity of slicing beads or slices in hemocytes (as a slicing criterion for slicing efficiency) was considerably reduced in granule cells treated with MLS-573151 (50 μM; 15 min) compared to trays [1]. |
| References |
[1]. Identification of a small GTPase inhibitor using a high-throughput flow cytometry bead-based multiplex assay. J Biomol Screen. 2010 Jan;15(1):10-20. [2]. Transcriptomic Evidence Reveals the Molecular Basis for Functional Differentiation of Hemocytes in a Marine Invertebrate, Crassostrea gigas. Front Immunol. 2020 May 27;11:911. |
Solubility Data
| Solubility (In Vitro) | DMSO: 75~100 mg/mL (198.7~264.9 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (6.62 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 (6.62 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 (6.62 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 | 2.6493 mL | 13.2464 mL | 26.4929 mL | |
| 5 mM | 0.5299 mL | 2.6493 mL | 5.2986 mL | |
| 10 mM | 0.2649 mL | 1.3246 mL | 2.6493 mL |