 Chemical Structure.png)
Physicochemical Properties
| Molecular Formula | C18H14N4OS |
| Molecular Weight | 334.39 |
| Exact Mass | 334.088 |
| CAS # | 1424635-83-5 |
| PubChem CID | 71890885 |
| Appearance | White to light yellow solid powder |
| Density | 1.36±0.1 g/cm3 |
| LogP | 3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Heavy Atom Count | 24 |
| Complexity | 529 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | VTXBMVZVPUSAJF-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C18H14N4OS/c23-17(15-11-20-16-14(15)7-4-8-19-16)21-18-22(9-10-24-18)12-13-5-2-1-3-6-13/h1-11H,12H2,(H,19,20) |
| Chemical Name | N-(3-benzyl-1,3-thiazol-2-ylidene)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide |
| 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
| ln Vitro | The IC50 of TRuLI increases with ATP concentration [1]. TRuLI (10 μM; 24 hours) interferes with the ability of Lats kinase to phosphorylate Yap with an EC50 of 510 nM [1]. TRuLI causes Yap-dependent proliferation of Müller glia in the mouse inner ear, mouse cardiomyocytes, and human Sertoli cells in retinal organoids [1]. TRuLI promotes G1-S and G2-M checkpoint switching and generates supporting cells capable of transdifferentiation [1]. |
| Cell Assay |
Cell Proliferation Assay[1] Cell Types: MCF 10A cells Tested Concentrations: 10 μM Incubation Duration: 24 hrs (hours) Experimental Results: diminished the phosphorylation of Yap at residue S127. |
| References |
[1]. Small-molecule inhibition of Lats kinases promotes Yap-dependent proliferation in postmitotic mammalian tissues. bioRxiv 2020.02.11.944157. |
Solubility Data
| Solubility (In Vitro) | DMSO: 50 mg/mL (149.53 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (7.48 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 2: ≥ 2.5 mg/mL (7.48 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. Solubility in Formulation 3: ≥ 2.08 mg/mL (6.22 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 20.8 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.9905 mL | 14.9526 mL | 29.9052 mL | |
| 5 mM | 0.5981 mL | 2.9905 mL | 5.9810 mL | |
| 10 mM | 0.2991 mL | 1.4953 mL | 2.9905 mL |