| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 25mg |
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| 50mg |
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| 100mg |
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| 250mg |
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| 500mg |
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| Other Sizes |
| Targets |
TH-263 targets LIMK2 (IC50 = 92 nM in a cell-free enzyme assay) [1][2][3].
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|---|---|
| Enzyme Assay |
The cell-free enzyme assay for TH-263 was performed to measure LIMK2 inhibitory activity. Kinetic experiments provided evidence of non-competitive inhibition compared to a type I pyrazolo-pyrimidine analogue. The detailed protocol (e.g., ATP concentration, substrate, incubation time, or detection method) is not specified in the reviewed literature [1][2][3].
X-ray crystallography was used to determine the structure of the complex between LIMK2 and TH-263 (deposited as PDB entry 4tpt). The compound binds within a hydrophobic pocket formed by the DFG-out inactive conformation of the activation loop, classifying it as a type III allosteric inhibitor [1][2][3]. |
| References | |
| Additional Infomation |
TH-263 is a diaryl sulfonamide derivative identified as a non-ATP competitive, type III LIMK2 inhibitor. It binds to an allosteric site in the DFG-out inactive conformation of LIMK2, which accounts for its high selectivity over other kinases including LIMK1. The X-ray crystal structure of the LIMK2–TH-263 complex was deposited as PDB entry 4tpt. Compared to other analogues (e.g., compound 54 with IC50 = 3 nM), TH-263 (with a diol system at the para position of the benzyl chain) showed a significant drop in LIMK2 inhibitory activity (92 nM) [1][2][3].
TH-263 represents a class of allosteric inhibitors that may offer advantages in selectivity over ATP-competitive inhibitors, though no further development or clinical trial data are mentioned [1][2][3]. |
| Molecular Formula |
C21H20N2O3S
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|---|---|
| Molecular Weight |
380.460103988647
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| Exact Mass |
380.119
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| Elemental Analysis |
C, 66.30; H, 5.30; N, 7.36; O, 12.62; S, 8.43
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| CAS # |
313520-94-4
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| Related CAS # |
313520-94-4;1004044-80-7 (wrong structure);
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| PubChem CID |
4371240
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| Appearance |
Solid powder
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| LogP |
3.2
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
27
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| Complexity |
553
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CC=C3
|
| InChi Key |
QDGVJMITKNOVTP-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C21H20N2O3S/c24-21(22-15-17-7-3-1-4-8-17)19-11-13-20(14-12-19)27(25,26)23-16-18-9-5-2-6-10-18/h1-14,23H,15-16H2,(H,22,24)
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| Chemical Name |
N-benzyl-4-(N-benzylsulfamoyl)benzamide
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| Synonyms |
TH-263; TH 263; TH263;
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| HS Tariff Code |
2934.99.9001
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| 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)
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| Solubility (In Vitro) |
DMSO: ≥ 50 mg/mL (~131.4 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1.25 mg/mL (3.29 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween-80 + 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 DMSO stock solution (12.5 mg/mL) to 400 μL of PEG300 and mix well; then add 50 μL of Tween-80 and mix well; finally add 450 μL of physiological saline and 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: ≥ 1.25 mg/mL (3.29 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 DMSO stock solution (12.5 mg/mL) to 900 μL of 20% SBE-β-CD saline and mix well. 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: ≥ 1.25 mg/mL (3.29 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 DMSO stock solution (12.5 mg/mL) to 900 μL of corn oil and mix well. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.6284 mL | 13.1420 mL | 26.2840 mL | |
| 5 mM | 0.5257 mL | 2.6284 mL | 5.2568 mL | |
| 10 mM | 0.2628 mL | 1.3142 mL | 2.6284 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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