| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
125I-SDF-1-CXCR4 ( IC50 = 4.5 nM ); HIV
FC131 TFA targets the chemokine receptor CXCR4, a G protein-coupled receptor (GPCR) involved in cell migration, immune cell trafficking, and disease progression. It inhibits the binding of [125I]-SDF-1 to CXCR4 with high affinity. As a reference antagonist, it enables researchers to quantify receptor occupancy and assess binding affinities of novel ligands. The compound's unique structural features, including its cyclic nature and rigidifying constraints, support studies of ligand conformation and receptor specificity. |
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| ln Vitro |
FC131 TFA demonstrates potent in vitro activity as a CXCR4 antagonist, with an IC50 of 4.5 nM for inhibiting [125I]-SDF-1 binding to CXCR4. It also exhibits anti-HIV activity. The compound is routinely utilized in in vitro models to study the role of CXCR4 in cell migration and chemotaxis. By blocking CXCR4-mediated responses, it helps delineate the contribution of this receptor to the directed movement of cells, particularly in immune cell trafficking.
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| ln Vivo |
In vivo studies for FC131 TFA have not been extensively documented in the available literature. The compound is primarily used as a research tool for in vitro studies of CXCR4-mediated signaling pathways. As a peptide-based antagonist, its in vivo applications would require appropriate formulation and delivery strategies. Further studies in animal models would be needed to evaluate its in vivo efficacy, pharmacokinetics, and therapeutic potential for conditions where CXCR4 is implicated, such as cancer metastasis and inflammatory diseases.
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| Enzyme Assay |
For CXCR4 binding assays, FC131 TFA is used in receptor-ligand binding studies to characterize the pharmacological properties of CXCR4. The compound is typically dissolved in DMSO and tested at various concentrations in competitive binding assays with [125I]-SDF-1. Receptor occupancy is quantified, and binding affinities of novel ligands are assessed. The compound's TFA salt enhances solubility for analytical assays. For signal transduction analysis, the compound is instrumental in probing downstream signaling events triggered by CXCR4 activation.
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| Cell Assay |
For cellular studies, FC131 TFA is used in cell migration and chemotaxis assays to study the role of CXCR4. Cells expressing CXCR4 are treated with the compound at various concentrations, and migration is assessed using transwell or other chemotaxis assays. By blocking CXCR4-mediated responses, the compound helps delineate the contribution of this receptor to directed cell movement. The compound is also used to dissect intracellular pathways such as calcium mobilization, MAP kinase activation, and gene transcription events initiated upon chemokine binding.
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| Animal Protocol |
In vivo animal studies for FC131 TFA have not been extensively reported in the literature. As a research peptide primarily used for in vitro applications, its in vivo evaluation would require appropriate animal models of CXCR4-related diseases. Studies in xenograft or inflammatory disease models could be designed to evaluate the compound's ability to block CXCR4-mediated tumor metastasis or immune cell trafficking. The compound would be administered via appropriate routes, and efficacy would be assessed by measuring disease progression, cell migration, or target engagement.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of FC131 TFA have not been fully characterized in the available literature. As a cyclic peptide with a molecular weight of 843.85, it is expected to have limited oral bioavailability and would likely require parenteral administration for in vivo studies. The compound is soluble in DMSO at 250 mg/mL (296.26 mM). It should be stored at -20°C, with stock solutions stable for 6 months at -80°C or 1 month at -20°C. Shipping is typically performed with blue ice for evaluation samples.
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| Toxicity/Toxicokinetics |
FC131 TFA is a research compound intended for laboratory use only and is not approved for human therapeutic use. As a CXCR4 antagonist with an IC50 of 4.5 nM, it is a valuable molecular tool for studying chemokine-mediated signaling pathways. The compound's use is particularly relevant in investigations of cell migration, immune cell trafficking, and mechanisms of disease progression where CXCR4 is implicated. Standard laboratory safety precautions should be followed when handling this compound.
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| References | |
| Additional Infomation |
FC131 TFA is a synthetic cyclic peptide that acts as a potent and selective antagonist of the chemokine receptor CXCR4, with an IC50 of 4.5 nM. It inhibits [125I]-SDF-1 binding to CXCR4 and exhibits anti-HIV activity. The compound is widely used in receptor-ligand binding assays, signal transduction analysis, and cell migration studies. Its TFA salt form enhances solubility for analytical assays. FC131 TFA is for research use only and has not been approved for clinical applications. It is not intended for individual clinical or medical purposes.
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| Exact Mass |
843.364
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|---|---|
| CAS # |
842166-42-1
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| Related CAS # |
FC131; 606968-52-9
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| PubChem CID |
71457332
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| Appearance |
White to off-white solid powder
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| Hydrogen Bond Donor Count |
11
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| Hydrogen Bond Acceptor Count |
13
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| Rotatable Bond Count |
12
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| Heavy Atom Count |
60
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| Complexity |
1400
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| Defined Atom Stereocenter Count |
4
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| SMILES |
C1C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC3=CC=CC=C3C=C2)CCCN=C(N)N)CCCN=C(N)N)CC4=CC=C(C=C4)O.C(=O)(C(F)(F)F)O
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| InChi Key |
CJRFPYRTUCUEQI-UVHONZKJSA-N
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| InChi Code |
InChI=1S/C36H47N11O6.C2HF3O2/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;3-2(4,5)1(6)7/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);(H,6,7)/t26-,27-,28-,29+;/m0./s1
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| Chemical Name |
2-[3-[(2S,5S,8S,14R)-5-[3-(diaminomethylideneamino)propyl]-14-[(4-hydroxyphenyl)methyl]-8-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propyl]guanidine;2,2,2-trifluoroacetic acid
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| Synonyms |
FC131 TFA
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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: 20~250 mg/mL (44.5~296.3 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (2.46 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 (2.46 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 (2.46 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
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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