| Size | Price | |
|---|---|---|
| 500mg | ||
| 1g | ||
| Other Sizes |
| Targets |
FC-131 targets the chemokine receptor CXCR4, a G-protein-coupled receptor that binds the chemokine CXCL12 (SDF-1). CXCR4 is involved in leukocyte trafficking, hematopoiesis, and cancer metastasis. FC-131 binds CXCR4 and blocks CXCL12-induced signaling, including calcium flux, ERK phosphorylation, and cell migration. It also inhibits HIV-1 entry via CXCR4. It is a potent and selective CXCR4 antagonist.
|
|---|---|
| ln Vitro |
In vitro, FC-131 inhibits CXCR4 with high affinity. It blocks CXCL12-induced calcium flux and chemotaxis in cells expressing CXCR4. It inhibits AKT kinase activity in AML OCI-AML3 cells. It shows anti-HIV activity by blocking CXCR4-mediated viral entry. It is a potent and selective CXCR4 antagonist used as a research tool.
|
| ln Vivo |
No independent in vivo efficacy data are widely reported for FC-131. As a research compound, it is primarily used for in vitro and cellular studies. In vivo characterization, including pharmacokinetics, efficacy, and toxicity, has not been extensively reported. Its therapeutic potential in animal models remains to be determined. It is a tool compound for studying CXCR4 biology.
|
| Enzyme Assay |
For non-cell receptor binding assays, membranes from cells expressing CXCR4 are incubated with radiolabeled CXCL12 or a fluorescent CXCR4 antagonist and FC-131 at serial dilutions. Bound radioligand is separated by filtration and counted. IC50 values are calculated from competition curves.
|
| Cell Assay |
In cell assays, cells expressing CXCR4 are treated with FC-131. CXCL12-induced calcium flux is measured using fluorescent calcium dyes. Chemotaxis is assessed using transwell chambers. AKT phosphorylation is measured by Western blot. Cell viability is measured by MTT.
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| Animal Protocol |
No established in vivo animal protocol exists for FC-131. If in vivo studies were conducted, the compound would be formulated in DMSO/PEG/saline and administered intraperitoneally or intravenously. Endpoints would include pharmacokinetic parameters, CXCR4 inhibition in tissues, and efficacy in cancer or HIV infection models.
|
| References |
:Development of novel CXC chemokine receptor 7 (CXCR7) ligands:
selectivity switch from CXCR4 antagonists with a cyclic pentapeptide
scaffold. J Med Chem. 2015 Jul 9;58(13):5218-25.
|
| Additional Infomation |
Cyclo[3-(2-naphthyl)-l-alanylglycyl-d-tyrosyl-l-arginyl-l-arginyl] is an oligopeptide.
|
| Molecular Formula |
C36H47N11O6
|
|---|---|
| Molecular Weight |
729.82848
|
| Exact Mass |
729.371
|
| CAS # |
606968-52-9
|
| Related CAS # |
FC131 TFA;842166-42-1
|
| PubChem CID |
5275843
|
| Appearance |
Typically exists as solid at room temperature
|
| Density |
1.5±0.1 g/cm3
|
| Index of Refraction |
1.696
|
| LogP |
-0.81
|
| Hydrogen Bond Donor Count |
10
|
| Hydrogen Bond Acceptor Count |
8
|
| Rotatable Bond Count |
12
|
| Heavy Atom Count |
53
|
| Complexity |
1310
|
| Defined Atom Stereocenter Count |
4
|
| SMILES |
OC=1C=CC(=CC1)C[C@@H]2C(N[C@H](C(N[C@H](C(N[C@H](C(NCC(N2)=O)=O)CC3=CC4=CC=CC=C4C=C3)=O)CCCNC(N)=N)=O)CCCNC(N)=N)=O
|
| InChi Key |
MBXBICVKLVYNKD-XFTNXAEASA-N
|
| InChi Code |
InChI=1S/C36H47N11O6/c37-35(38)41-15-3-7-26-32(51)45-27(8-4-16-42-36(39)40)33(52)47-28(19-22-9-12-23-5-1-2-6-24(23)17-22)31(50)43-20-30(49)44-29(34(53)46-26)18-21-10-13-25(48)14-11-21/h1-2,5-6,9-14,17,26-29,48H,3-4,7-8,15-16,18-20H2,(H,43,50)(H,44,49)(H,45,51)(H,46,53)(H,47,52)(H4,37,38,41)(H4,39,40,42)/t26-,27-,28-,29+/m0/s1
|
| Chemical Name |
1,1'-(((2S,5S,8S,14R)-14-(4-hydroxybenzyl)-8-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentaazacyclopentadecane-2,5-diyl)bis(propane-3,1-diyl))diguanidine
|
| Synonyms |
FC 131 FC131FC-131 d-Tyr-Arg-Arg-2-Nal-Gly
Cyclo[2-Nal-Gly-D-Tyr-Arg-Arg]
|
| 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 (In Vitro) |
H2O
|
|---|---|
| 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 | 1.3702 mL | 6.8509 mL | 13.7018 mL | |
| 5 mM | 0.2740 mL | 1.3702 mL | 2.7404 mL | |
| 10 mM | 0.1370 mL | 0.6851 mL | 1.3702 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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