MRT-10 is a seven-transmembrane smooth receptor (Smo) antagonist (inhibitor) with IC50 of 0.65 μM in various Hedgehog (Hh) assays. MRT-10 binds to Smo receptors at the level of the Bodipycyclopamine binding site. MRT-10 may be utilized in cancer research.

Physicochemical Properties

Molecular Formula	C24H23N3O5S
Molecular Weight	465.52
Exact Mass	465.136
CAS #	330829-30-6
PubChem CID	1139102
Appearance	White to off-white solid powder
LogP	5.27
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Heavy Atom Count	33
Complexity	659
Defined Atom Stereocenter Count	0
InChi Key	KVQVEZQDNHMQJV-UHFFFAOYSA-N
InChi Code	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)
Chemical Name	N-[(3-benzamidophenyl)carbamothioyl]-3,4,5-trimethoxybenzamide
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

In HEK293 cells, MRT-10 suppresses the Smo-induced IP accumulation in a dose-dependent manner (IC50=2.5 μM)[1]. With an IC50=0.5 μM, MRT-10 (10-9-10-5 M; 2 h) inhibits the binding of bodipy-cyclopamine (5 nM; 2 h) to cells expressing mouse Smo in a dose-dependent manner[1]. MRT-10 (10-9-10-5 M; 40 h) has an IC50=0.64 μM and suppresses ShhN signaling in Shh-light2 cells in a dose-dependent manner[1]. MRT-10 (10-9-10-5 M; 6 days) suppresses the alkaline phosphatase (AP) activity in C3H10T1/2 cells that is stimulated by SAG (0.1 μM) (IC50=0.90 μM).

References

[1]. Virtual screening-based discovery and mechanistic characterization of the acylthiourea MRT-10 family as smoothened antagonists. Mol Pharmacol. 2010 Oct;78(4):658-65. [2]. Acylthiourea, acylurea, and acylguanidine derivatives with potent hedgehog inhibiting activity. J Med Chem. 2012 Feb 23;55(4):1559-71.

Solubility Data

Solubility (In Vitro)

DMSO: 100 mg/mL (214.81 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (5.37 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	2.1481 mL	10.7407 mL	21.4814 mL
	5 mM	0.4296 mL	2.1481 mL	4.2963 mL
	10 mM	0.2148 mL	1.0741 mL	2.1481 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.