| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 50mg |
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| 100mg | |||
| Other Sizes |
| Targets |
MRT-83 HCl salt targets the Smoothened (Smo) receptor, a key component of the Hedgehog (Hh) signaling pathway. Smo is a G protein-coupled receptor (GPCR)-like protein that transmits Hh signals from the cell surface to the cytoplasm. Aberrant Hh signaling is implicated in various cancers, including basal cell carcinoma and medulloblastoma. MRT-83 acts as a potent antagonist of Smo, blocking the Hh signaling pathway. It inhibits the binding of BODIPY-cyclopamine to human Smo. By blocking Smo, MRT-83 can be used to study the role of Hh signaling in cancer and developmental biology.
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| ln Vitro |
MRT-83 (hydrochloride) (compound 86) had an IC50 of 15 and 11 nM in bioactivity tests in Shh-light2 and C3H10T1/2 cells, respectively [1].
In vitro, MRT-83 HCl salt potently inhibits Hh signaling in cell-based assays. It blocks Hh signaling in various assays with an IC₅₀ in the nanomolar range. The compound's activity is typically assessed using Gli-luciferase reporter assays in Shh-LIGHT2 cells or other Hh-responsive cell lines. MRT-83 inhibits the binding of BODIPY-cyclopamine to human Smo. The compound is a valuable tool for studying Smo function and Hh signaling in various biological contexts. |
| ln Vivo |
In vivo, MRT-83 HCl salt has been used to study the role of Hh signaling in cancer and other diseases. As a Smo antagonist, it can block Hh signaling in vivo and inhibit the growth of Hh-dependent tumors. The compound has been used to investigate mechanisms underlying cancer and other diseases. Specific in vivo efficacy data are available from published studies. MRT-83 is a research tool and has not been developed for clinical applications.
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| Enzyme Assay |
In vitro receptor binding assays for MRT-83 typically involve measuring the inhibition of BODIPY-cyclopamine binding to Smo. A typical protocol: membrane preparations from cells expressing human Smo are incubated with BODIPY-cyclopamine (a fluorescent Smo ligand) and varying concentrations of MRT-83 (0.01 nM to 10 μM) in binding buffer for 60-90 minutes at room temperature. Non-specific binding is determined in the presence of 10 μM unlabeled cyclopamine. Fluorescence is measured using a fluorescence microplate reader. IC₅₀ values are calculated from competition curves. Each concentration is tested in triplicate.
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| Cell Assay |
In vitro cell-based assays for MRT-83 are performed using Hh-responsive cell lines such as Shh-LIGHT2 cells or primary cells. A typical protocol: cells are seeded in 96-well plates and treated with MRT-83 at concentrations ranging from 0.01 nM to 10 μM for 24-48 hours. Hh signaling is assessed using a Gli-luciferase reporter assay. Cell viability is assessed using MTT assays to ensure that observed effects are not due to cytotoxicity. Each condition is tested in triplicate, and experiments are repeated at least three times.
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| Animal Protocol |
In vivo animal studies for MRT-83 are conducted in mouse models of Hh-dependent tumors. A typical protocol: immunocompromised mice are inoculated subcutaneously with Hh-dependent cancer cells (e.g., medulloblastoma or basal cell carcinoma cells). When tumors reach 50-100 mm³, mice are randomized to receive MRT-83 via oral gavage or intraperitoneal injection at doses of 1-30 mg/kg, daily, for 2-4 weeks. Tumor volumes are measured with calipers every 2-3 days, and body weight is monitored for toxicity. At study termination, tumors are harvested for histopathological examination and biomarker analysis (e.g., Gli1 expression by IHC or qRT-PCR).
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of MRT-83 HCl salt have been partially characterized. The compound is soluble in DMSO. Its plasma half-life, volume of distribution, protein binding, and oral bioavailability have been evaluated in preclinical models. The compound is metabolized in the liver, and its metabolites are eliminated via the renal and biliary routes. Specific pharmacokinetic parameters are available from preclinical study reports. The compound should be stored at -20°C for long-term stability.
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| Toxicity/Toxicokinetics |
Toxicological data for MRT-83 HCl salt are limited to preclinical studies. The compound has not undergone formal toxicology testing for regulatory purposes. Standard laboratory safety precautions should be followed when handling MRT-83 HCl salt: use of personal protective equipment (gloves, safety goggles, lab coat) and handling in a well-ventilated fume hood. The compound should be stored at -20°C for long-term stability. No genotoxicity, carcinogenicity, or reproductive toxicity data are available. Researchers should consult the safety data sheet (SDS) before handling.
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| References | |
| Additional Infomation |
Additional information for MRT-83 HCl salt: The compound has a CAS number of 1359944-60-7. Its molecular formula is C₃₁H₃₁ClN₄O₅ and molecular weight is 575.05 g/mol. It is a potent Smoothened (Smo) receptor antagonist. It inhibits Hedgehog signaling and BODIPY-cyclopamine binding to Smo. IC₅₀ in the nanomolar range. It belongs to the acylguanidine chemical class. It is for research use only and is not approved for clinical applications. No FDA approvals exist.
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| Molecular Formula |
C31H31CLN4O5
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|---|---|
| Molecular Weight |
575.054646730423
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| Exact Mass |
574.198
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| CAS # |
1359944-60-7
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| Related CAS # |
MRT-83;1263131-92-5
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| PubChem CID |
145986773
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| Appearance |
White to off-white solid powder
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| Hydrogen Bond Donor Count |
4
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
9
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| Heavy Atom Count |
41
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| Complexity |
841
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| Defined Atom Stereocenter Count |
0
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| SMILES |
Cl.O(C)C1C(=CC(C(N/C(/N)=N/C2C=CC(C)=C(C=2)NC(C2C=CC(=CC=2)C2C=CC=CC=2)=O)=O)=CC=1OC)OC
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| InChi Key |
ZOQUUTBPNBYISX-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C31H30N4O5.ClH/c1-19-10-15-24(33-31(32)35-30(37)23-16-26(38-2)28(40-4)27(17-23)39-3)18-25(19)34-29(36)22-13-11-21(12-14-22)20-8-6-5-7-9-20;/h5-18H,1-4H3,(H,34,36)(H3,32,33,35,37);1H
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| Chemical Name |
3,4,5-trimethoxy-N-[N'-[4-methyl-3-[(4-phenylbenzoyl)amino]phenyl]carbamimidoyl]benzamide;hydrochloride
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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 Note: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| 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 : ~250 mg/mL (~434.74 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (3.62 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 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 20.8 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to 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: ≥ 2.08 mg/mL (3.62 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 20.8 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. 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. View More
Solubility in Formulation 3: ≥ 2.08 mg/mL (3.62 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.7390 mL | 8.6949 mL | 17.3898 mL | |
| 5 mM | 0.3478 mL | 1.7390 mL | 3.4780 mL | |
| 10 mM | 0.1739 mL | 0.8695 mL | 1.7390 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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