| Size | Price | Stock | Qty |
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| 5mg |
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| 25mg |
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| Targets |
BMS-470539 diHCl targets the melanocortin-1 receptor (MC1R), a G protein-coupled receptor expressed on immune cells and melanocytes. It acts as a highly potent and selective agonist, activating the receptor and its downstream signaling pathways. This activation leads to potent anti-inflammatory effects, making it a valuable tool for studying MC1R's role in immune regulation and its potential as a therapeutic target for inflammatory diseases.
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| ln Vitro |
A stable expression of the NF-κB luciferase reporter gene was established in an HBL melanoma cell line. TNF-α at 0.5 ng/mL increased the activity of NF-κB luciferase in these cells in a dose-dependent manner. TNF-α-stimulated NF-κB luciferase activity was dose-dependently and statistically not significantly reduced in HBL-NF-κB cells treated with BMS-470539 dihydrochloride. Treatment with BMS-470539 dihydrochloride causes a dose-dependent reduction of NF-B nuclear translocation Bit in untransfected HBL cells when applied to the luciferase reporter in the presence of TNF-α stimulation[2].
In vitro, BMS-470539 diHCl demonstrates high potency at MC1R, with EC50 values of 11.6 nM, 16.2 nM, and 16.8 nM in B16, HBL, and CHO-MC1R cells, respectively. It shows little or no potency toward MC2R, MC3R, MC4R, and MC5R, confirming its high selectivity. This selective agonism makes it a valuable tool for dissecting MC1R-specific signaling pathways and their anti-inflammatory effects in various cell types. |
| ln Vivo |
BMS-470539 diHClide (2.05-18.47 mg/kg; intravenous; 125 min; WT and MC1 receptor recessive e/e mice) targets migration and cytokines but has no effect on cell rolling. also suppresses CXCL1
In vivo, BMS-470539 diHCl has demonstrated potent anti-inflammatory efficacy. It is effective when administered intravenously or subcutaneously at doses of 15-100 μmol/kg in mice. Its ability to activate MC1R and reduce inflammation makes it a promising candidate for studying the therapeutic potential of MC1R agonism in models of inflammatory and fibrotic diseases. |
| Enzyme Assay |
In vitro receptor binding assays for BMS-470539 diHCl involve measuring its affinity and potency at MC1R. Radioligand binding studies using ¹²⁵I-NDP-α-MSH can be performed to determine its affinity. Functional assays measure MC1R-mediated cAMP accumulation, as MC1R is a Gs-coupled receptor. Cells expressing MC1R are treated with increasing concentrations of the compound, and cAMP levels are measured by ELISA or HTRF to determine EC50 values.
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| Cell Assay |
For in vitro cell-based assays, cells expressing MC1R (e.g., B16 melanoma cells, HBL cells, or CHO cells) are cultured. Cells are treated with BMS-470539 diHCl at various concentrations. MC1R activation is measured by quantifying intracellular cAMP levels. Selectivity is confirmed by testing the compound against cells expressing other MC receptors. Anti-inflammatory effects can be assessed in immune cells by measuring cytokine production following LPS stimulation.
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| Animal Protocol |
Animal/Disease Models: ischemia-reperfusion-induced wild-type (WT) and MC1 receptor recessive e/e mice [3]
Doses: 2.05 mg/kg, 6.16 mg/kg and 18.47 mg/kg. Mode of Route of Administration: intravenous (iv) (iv)injection; 125 minutes Experimental Results: Inhibited cell adhesion and migration, had no effect on cell rolling. Inhibits tissue expression of CXCL1 and CCL2. In vivo animal studies with BMS-470539 diHCl typically use mouse models of inflammation or fibrosis. The compound is administered intravenously or subcutaneously at doses of 15-100 μmol/kg. Efficacy is measured by assessing inflammatory markers, tissue damage, or disease severity. For fibrosis models, collagen deposition and fibrotic gene expression are measured. The compound's anti-inflammatory properties are well-documented in these models. |
| ADME/Pharmacokinetics |
BMS-470539 diHCl (CAS: 2341796-82-3) has a molecular weight of 596.16 g/mol and a molecular formula of C32H42ClN5O4. It is a highly potent and selective MC1R agonist, with an IC50 of 120 nM and an EC50 of 28 nM. The compound is soluble in DMSO and is typically stored as a solid. It is intended for research purposes only and is not approved for clinical use.
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| Toxicity/Toxicokinetics |
BMS-470539 diHCl is a research compound and is not approved for human therapeutic use. In preclinical studies, it has shown potent anti-inflammatory efficacy with a manageable safety profile. As a selective MC1R agonist, it is expected to have a targeted mechanism of action, which may reduce off-target effects. Standard laboratory safety precautions should be followed when handling the compound.
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| References |
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| Additional Infomation |
BMS-470539 diHCl is a highly potent and selective melanocortin-1 receptor (MC1R) agonist. It has potent anti-inflammatory properties in vivo and is being investigated for its role in inflammation and fibrosis research. It is not an FDA-approved drug and is intended for research use only.
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| Molecular Formula |
C32H43CL2N5O4
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| Molecular Weight |
632.620926141739
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| Exact Mass |
631.269
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| CAS # |
2341796-82-3
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| Related CAS # |
457893-92-4;2341796-82-3 (HCl);
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| PubChem CID |
60210130
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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 |
12
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| Heavy Atom Count |
43
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| Complexity |
862
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| Defined Atom Stereocenter Count |
2
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| SMILES |
Cl.Cl.O=C(CCC)C1(C2C=CC=CC=2)CCN(C([C@@H](CC2C=CC(=CC=2)OC)NC([C@H](CC2=CN=CN2C)N)=O)=O)CC1
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| InChi Key |
DUAOBJHRUKFKIH-YDVFRNEYSA-N
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| InChi Code |
InChI=1S/C32H41N5O4.2ClH/c1-4-8-29(38)32(24-9-6-5-7-10-24)15-17-37(18-16-32)31(40)28(19-23-11-13-26(41-3)14-12-23)35-30(39)27(33)20-25-21-34-22-36(25)2;;/h5-7,9-14,21-22,27-28H,4,8,15-20,33H2,1-3H3,(H,35,39);2*1H/t27-,28+;;/m0../s1
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| Chemical Name |
(2S)-2-amino-N-[(2R)-1-(4-butanoyl-4-phenylpiperidin-1-yl)-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-(3-methylimidazol-4-yl)propanamide;dihydrochloride
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| Synonyms |
BMS470539 diHCl; BMS 470539 diHCl
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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 : ≥ 125 mg/mL (~197.59 mM)
H2O : ≥ 100 mg/mL (~158.07 mM) |
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.5807 mL | 7.9036 mL | 15.8073 mL | |
| 5 mM | 0.3161 mL | 1.5807 mL | 3.1615 mL | |
| 10 mM | 0.1581 mL | 0.7904 mL | 1.5807 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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