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MRT-10

Cat No.:V69133 Purity: ≥98%
MRT-10 is a seven-transmembrane smooth receptor (Smo) antagonist (inhibitor) with IC50 of 0.65 μM in various Hedgehog (Hh) assays.
MRT-10
MRT-10 Chemical Structure CAS No.: 330829-30-6
Product category: Smo
This product is for research use only, not for human use. We do not sell to patients.
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Product Description
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.
Biological Activity I Assay Protocols (From Reference)
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.

These protocols are for reference only. InvivoChem does not independently validate these methods.
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)
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.

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What is the mass of compound required to make a 10 mM stock solution in 5 ml of DMSO given that the molecular weight of the compound is 350.26 g/mol?
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What volume of a given 10 mM stock solution is required to make 25 ml of a 25 μM solution?
Using the equation C1V1 = C2V2, where C1=10 mM, C2=25 μM, V2=25 ml and V1 is the unknown:
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Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
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In vivo Formulation Calculator (Clear solution)
Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)
Step 2: Enter in vivo formulation (This is only a calculator, not the exact formulation for a specific product. Please contact us first if there is no in vivo formulation in the solubility section.)
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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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