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| Targets |
CXCR4
The primary target of MSX-127 is the C-X-C chemokine receptor type 4 (CXCR4), a seven-transmembrane G-protein coupled receptor (GPCR). It acts as a CXCR4 receptor antagonist, blocking the binding of the chemokine CXCL12 (SDF-1) to CXCR4. By inhibiting CXCR4, MSX-127 prevents the activation of downstream signaling pathways that promote cell migration, proliferation, and survival. |
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| ln Vitro |
Members of the rhodopsin-like GPCR family, also known as family I GPCRs, include the seven transmembrane C-X-C chemokine receptor-4 (CXCR4) GPCR. In addition to regulating stem cell trafficking, CXCR4 is crucial for neovascularization and cancer metastasis [1].
In vitro, MSX-127 is a CXCR4 receptor antagonist that inhibits tumor metastasis. Its activity is typically measured using radioligand binding assays with cell membranes expressing CXCR4. In these assays, MSX-127 displaces a radiolabeled CXCL12 ligand from CXCR4. Functional assays that measure CXCR4-mediated signaling, such as calcium mobilization or chemotaxis, are employed to confirm the compound's antagonist activity. |
| ln Vivo |
In vivo, MSX-127 inhibits tumor metastasis. By antagonizing CXCR4, the compound prevents the migration of cancer cells to metastatic sites. While specific in vivo efficacy data for MSX-127 are not extensively detailed in the available literature, its mechanism of action suggests that it would be effective in reducing tumor metastasis in animal models.
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| Enzyme Assay |
In vitro enzyme/receptor binding assays for MSX-127 involve radioligand binding studies using cell membranes expressing CXCR4. Competitive binding assays are performed using a radiolabeled CXCL12 ligand to determine the compound's affinity for CXCR4. Selectivity profiling against other chemokine receptors and GPCRs is performed to assess the compound's specificity. Functional assays that measure CXCR4-mediated signaling, such as calcium mobilization or chemotaxis, are employed to confirm the compound's antagonist activity.
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| Cell Assay |
In vitro cellular assays for MSX-127 are conducted in cells expressing CXCR4, such as cancer cell lines or immune cells. Cells are treated with varying concentrations of MSX-127, and CXCR4-mediated signaling is assessed by measuring calcium mobilization, chemotaxis, or other functional readouts. These assays confirm that MSX-127 engages its target in a cellular context and produces the expected inhibition of CXCR4 signaling.
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| Animal Protocol |
In vivo animal studies for MSX-127 would typically be conducted in mouse models of cancer metastasis. Animals would be administered the compound, and tumor metastasis to distant organs would be assessed. The compound's effects on immune cell migration and function could also be evaluated. These studies would confirm that MSX-127 is effective in vivo and provide information about its therapeutic potential.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of MSX-127 indicate that it has a molecular weight of 308.38 and a molecular formula of C16H24N2O4. The compound is soluble in DMSO, facilitating its use in in vitro assays and formulation for in vivo administration. For storage, the powder should be kept under appropriate conditions to maintain stability.
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| Toxicity/Toxicokinetics |
The toxicological profile of MSX-127 is primarily derived from its use as a research compound in preclinical studies. As a CXCR4 antagonist, potential on-target effects could include changes in immune cell migration and function, given the role of CXCR4 in the immune system. Comprehensive toxicology studies would be required for therapeutic development, including assessments of immune function and hematopoietic stem cell mobilization.
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| References | |
| Additional Infomation |
MSX-127 (NSC-23026) is a CXCR4 receptor antagonist. It inhibits tumor metastasis. The compound targets the C-X-C chemokine receptor type 4 (CXCR4), a seven-transmembrane GPCR. MSX-127 is not approved for clinical use and is available from research chemical suppliers for preclinical studies.
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| Molecular Formula |
C16H24N2O4
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|---|---|
| Molecular Weight |
308.3728
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| Exact Mass |
308.174
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| Elemental Analysis |
C, 62.32; H, 7.84; N, 9.08; O, 20.75
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| CAS # |
6616-56-4
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| PubChem CID |
229366
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| Appearance |
White to off-white solid powder
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| Density |
1.278g/cm3
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| Boiling Point |
486.7ºC at 760 mmHg
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| Flash Point |
248.2ºC
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| Index of Refraction |
1.605
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| LogP |
0.638
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
22
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| Complexity |
300
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O1C([H])([H])C([H])([H])N(C([H])([H])C1([H])[H])C([H])([H])C1C([H])=C(C(=C([H])C=1O[H])C([H])([H])N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])O[H]
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| InChi Key |
DGGCIZWVIVXHFR-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C16H24N2O4/c19-15-10-14(12-18-3-7-22-8-4-18)16(20)9-13(15)11-17-1-5-21-6-2-17/h9-10,19-20H,1-8,11-12H2
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| Chemical Name |
2,5-bis(morpholin-4-ylmethyl)benzene-1,4-diol
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| Synonyms |
NSC 47883; NSC47883; NSC-47883; MSX-127; MSX 127; MSX127; NSC 23026; NSC23026; NSC-23026
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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 |
| 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: ~41.7~62 mg/mL (~135.1~201.1 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 | 3.2429 mL | 16.2143 mL | 32.4286 mL | |
| 5 mM | 0.6486 mL | 3.2429 mL | 6.4857 mL | |
| 10 mM | 0.3243 mL | 1.6214 mL | 3.2429 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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