MRT 10

Smoothened (Smo) antagonist CAS# 330829-30-6

MRT 10

Catalog No. BCC7950----Order now to get a substantial discount!

Product Name & Size Price Stock
MRT 10:10mg $179.00 In stock
MRT 10:20mg $304.00 In stock
MRT 10:50mg $716.00 In stock
MRT 10:100mg $1253.00 In stock
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Chemical structure

MRT 10

3D structure

Chemical Properties of MRT 10

Cas No. 330829-30-6 SDF Download SDF
PubChem ID 1139102 Appearance Powder
Formula C24H23N3O5S M.Wt 465.52
Type of Compound N/A Storage Desiccate at -20°C
Solubility Soluble to 100 mM in DMSO
Chemical Name N-[(3-benzamidophenyl)carbamothioyl]-3,4,5-trimethoxybenzamide
SMILES COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=CC=C3
Standard InChIKey KVQVEZQDNHMQJV-UHFFFAOYSA-N
Standard InChI InChI=1S/C24H23N3O5S/c1-30-19-12-16(13-20(31-2)21(19)32-3)23(29)27-24(33)26-18-11-7-10-17(14-18)25-22(28)15-8-5-4-6-9-15/h4-14H,1-3H3,(H,25,28)(H2,26,27,29,33)
General tips For obtaining a higher solubility , please warm the tube at 37 ℃ and shake it in the ultrasonic bath for a while.Stock solution can be stored below -20℃ for several months.
We recommend that you prepare and use the solution on the same day. However, if the test schedule requires, the stock solutions can be prepared in advance, and the stock solution must be sealed and stored below -20℃. In general, the stock solution can be kept for several months.
Before use, we recommend that you leave the vial at room temperature for at least an hour before opening it.
About Packaging 1. The packaging of the product may be reversed during transportation, cause the high purity compounds to adhere to the neck or cap of the vial.Take the vail out of its packaging and shake gently until the compounds fall to the bottom of the vial.
2. For liquid products, please centrifuge at 500xg to gather the liquid to the bottom of the vial.
3. Try to avoid loss or contamination during the experiment.
Shipping Condition Packaging according to customer requirements(5mg, 10mg, 20mg and more). Ship via FedEx, DHL, UPS, EMS or other couriers with RT, or blue ice upon request.

Biological Activity of MRT 10

DescriptionSmoothened (Smo) receptor antagonist (IC50 = 0.5 μM in HEK293 cells transiently expressing mouse Smo). Inhibits ShhN-induced Gli luciferase reporter activity in Shh-light 2 cells (IC50 = 2.5 μM); acts as an inverse agonist during nontranscriptional Hedgehog pathway activation (IC50 = 2.5 μM in HEK293 cells).

MRT 10 Dilution Calculator

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MRT 10 Molarity Calculator

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Preparing Stock Solutions of MRT 10

1 mg 5 mg 10 mg 20 mg 25 mg
1 mM 2.1481 mL 10.7407 mL 21.4814 mL 42.9627 mL 53.7034 mL
5 mM 0.4296 mL 2.1481 mL 4.2963 mL 8.5925 mL 10.7407 mL
10 mM 0.2148 mL 1.0741 mL 2.1481 mL 4.2963 mL 5.3703 mL
50 mM 0.043 mL 0.2148 mL 0.4296 mL 0.8593 mL 1.0741 mL
100 mM 0.0215 mL 0.1074 mL 0.2148 mL 0.4296 mL 0.537 mL
* Note: If you are in the process of experiment, it's necessary to make the dilution ratios of the samples. The dilution data above is only for reference. Normally, it's can get a better solubility within lower of Concentrations.

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References on MRT 10

Virtual screening-based discovery and mechanistic characterization of the acylthiourea MRT-10 family as smoothened antagonists.[Pubmed:20664000]

Mol Pharmacol. 2010 Oct;78(4):658-65.

The seven-transmembrane receptor Smoothened (Smo) is the major component involved in signal transduction of the Hedgehog (Hh) morphogens. Smo inhibitors represent a promising alternative for the treatment of several types of cancers linked to abnormal Hh signaling. Here, on the basis of experimental data, we generated and validated a pharmacophoric model for Smo inhibitors constituted by three hydrogen bond acceptor groups and three hydrophobic regions. We used this model for the virtual screening of a library of commercially available compounds. Visual and structural criteria allowed the selection of 20 top scoring ligands, and an acylthiourea, N-(3-benzamidophenylcarbamothioyl)-3,4,5-trimethoxybenzamide (MRT-10), was identified and characterized as a Smo antagonist. The corresponding acylurea, N-(3-benzamidophenylcarbamoyl)-3,4,5-trimethoxybenzamide (MRT-14), was synthesized and shown to display, in various Hh assays, an inhibitory potency comparable to or greater than that of reference Smo antagonists cyclopamine and N-((3S,5S)-1-(benzo[d][1,3]dioxol-5-ylmethyl)-5-(piperazine-1-carbonyl)pyrrolidin -3-yl)-N-(3-methoxybenzyl)-3,3-dimethylbutanamide (Cur61414). Focused virtual screening of the same library further identified five additional related antagonists. MRT-10 and MRT-14 constitute the first members of novel families of Smo antagonists. The described virtual screening approach is aimed at identifying novel modulators of Smo and of other G-protein coupled receptors.

Acylthiourea, acylurea, and acylguanidine derivatives with potent hedgehog inhibiting activity.[Pubmed:22268551]

J Med Chem. 2012 Feb 23;55(4):1559-71.

The Smoothened (Smo) receptor is the major transducer of the Hedgehog (Hh) signaling pathway. On the basis of the structure of the acylthiourea Smo antagonist (MRT-10), a number of different series of analogous compounds were prepared by ligand-based structural optimization. The acylthioureas, originally identified as actives, were converted into the corresponding acylureas or acylguanidines. In each series, similar structural trends delivered potent compounds with IC(50) values in the nanomolar range with respect to the inhibition of the Hh signaling pathway in various cell-based assays and of BODIPY-cyclopamine binding to human Smo. The similarity of their biological activities, in spite of discrete structural differences, may reveal the existence of hydrogen-bonding interactions between the ligands and the receptor pocket. Biological potency of compounds 61, 72, and 86 (MRT-83) were comparable to those of the clinical candidate GDC-0449. These findings suggest that these original molecules will help delineate Smo and Hh functions and can be developed as potential anticancer agents.

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