| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| 5mg |
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| 10mg |
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| Other Sizes |
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| Targets |
IC50: 41 nM (Shh-light2 cells Smo receptors)[1]
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|---|---|
| ln Vitro |
MRT-81 inhibits the Smo agonist SAG (0.1 μM)-induced differentiation of mesenchymal pluripotent C3H10T1/2 cells into alkaline phosphatasepositive osteoblasts, with an IC50 value of 64 nM[1]. With an IC50 less than 10 nM, MRT-81 (1-1000 nM) is a strong antagonist of SAG (0.01 μM)-induced rat granule cell precursors (GCPs) proliferation[1]. In HEK-hSmo cells, MRT-81 (0, 0.1, 1, 10, 30, 100, 300, 1000 nM; 2 h; 37 °C) inhibits the binding of BODIPY-cyclopamine (5 nM) to hSmo in a dose-dependent manner, with an IC50 of 63 nM[1].
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| References |
| Molecular Formula |
C31H29N3O5S
|
|---|---|
| Molecular Weight |
555.64
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| Exact Mass |
555.182
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| CAS # |
1263132-08-6
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| PubChem CID |
56964692
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| Appearance |
White to light yellow solid powder
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| LogP |
6.3
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
8
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| Heavy Atom Count |
40
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| Complexity |
831
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1(C2=CC=CC=C2)=CC=C(C(NC2=CC(NC(=S)NC(=O)C3=CC(OC)=C(OC)C(OC)=C3)=CC=C2C)=O)C=C1
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| InChi Key |
CTXQODCQOSYYDE-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C31H29N3O5S/c1-19-10-15-24(32-31(40)34-30(36)23-16-26(37-2)28(39-4)27(17-23)38-3)18-25(19)33-29(35)22-13-11-21(12-14-22)20-8-6-5-7-9-20/h5-18H,1-4H3,(H,33,35)(H2,32,34,36,40)
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| Chemical Name |
3,4,5-trimethoxy-N-[[4-methyl-3-[(4-phenylbenzoyl)amino]phenyl]carbamothioyl]benzamide
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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: 100 mg/mL (179.97 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (4.50 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 | 1.7997 mL | 8.9986 mL | 17.9973 mL | |
| 5 mM | 0.3599 mL | 1.7997 mL | 3.5995 mL | |
| 10 mM | 0.1800 mL | 0.8999 mL | 1.7997 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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