2. GPCR/G Protein Immunology/Inflammation
  3. CXCR
  4. CXCR4-IN-3

CXCR4-IN-3 (compound XVI) is an orally active and potent inhibitor targeting the inflammation-related receptor CXCR4, with an IC50 of 3.2 nM. CXCR4-IN-3 exhibits potent antichemotactic activity, at 79.19±2.33% inhibition. CXCR4-IN-3 shows anti-inflammatory activity. CXCR4-IN-3 can be used for IBD (inflammatory bowel disease) research.

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CXCR4-IN-3 Chemical Structure

CXCR4-IN-3 Chemical Structure

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10 mM * 1 mL in DMSO
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Based on 1 publication(s) in Google Scholar

CXCR4-IN-3 Related Antibodies

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CXCR CXCR1 CXCR2 CXCR3 CXCR4 CXCR7 CXCR6

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Description

CXCR4-IN-3 (compound XVI) is an orally active and potent inhibitor targeting the inflammation-related receptor CXCR4, with an IC50 of 3.2 nM. CXCR4-IN-3 exhibits potent antichemotactic activity, at 79.19±2.33% inhibition. CXCR4-IN-3 shows anti-inflammatory activity. CXCR4-IN-3 can be used for IBD (inflammatory bowel disease) research[1].

IC50 & Target

CXCR4

3.2 nM (IC50)

In Vivo

CXCR4-IN-3 (compound XVI) (25 mg/kg, IG, twice a day for 14 consecutive days) alleviates DSS (dextran sulfate sodium)-induced IBD (inflammatory bowel disease) and is associated with reduced numbers of inflammatory cells and reduced secretion of inflammatory factors[1].
CXCR4-IN-3 (iv (2 mg/kg) ig (20 mg/kg); once) shows reasonable pharmacokinetic properties[1].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

Animal Model: Male C57BL/6 mice (8 weeks, n=8 per group, DSS-Induced Colitis Model)[1]
Dosage: 25 mg/kg
Administration: Intragastrically, 100 μL/10 g, twice a day for 14 consecutive days
Result: Markedly relieved the condition of IBD; Significantly decreased the myeloperoxidase (MPO) levels; Blocked chronic inflammation of the intestinal tract.
Animal Model: Male Sprague-Dawley rats[1]
Dosage: iv (2 mg/kg) ig (20 mg/kg)
Administration: IV or IG, once (Pharmacokinetic Analysis)
Result: Pharmacokinetic Parameters of CXCR4-IN-3 in male Sprague-Dawley rats[1].
IV (2 mg/kg) IG (20 mg/kg)
Tmax (h) 0.08 0.25
t1/2 (h) 0.81±0.10 1.71±0.08
Cmax (ng/mL) 351.42±18.92 1436.41±805.36
AUC0-t (ng/mL∗h) 330.37±22.00 3010.81±283.96
AUC0-∞ (ng/mL∗h) 340.29±26.61 3070.77±325.73
CL (mL/h/kg) 5901.52±463.48 6565.45±741.43
V (mL/kg) 6037.79±278.59 16161.66±1798.44
F (%) 91.14
Molecular Weight

339.43

Formula

C20H25N3O2
Appearance

Solid

Color

Light yellow to yellow

SMILES

O=C(C1=CC=CO1)N2CCN(C3CCN(C4=CC=CC=C4)CC3)CC2
Shipping

Room temperature in continental US; may vary elsewhere.
Storage
Powder -20°C 3 years
4°C 2 years
In solvent -80°C 6 months
-20°C 1 month
Solvent & Solubility
In Vitro: 

DMSO : 40 mg/mL (117.84 mM; ultrasonic and warming and adjust pH to 3 with 1 M HCL and heat to 60°C; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)

Preparing
Stock Solutions
Concentration Solvent Mass 1 mg 5 mg 10 mg
1 mM 2.9461 mL 14.7306 mL 29.4612 mL
5 mM 0.5892 mL 2.9461 mL 5.8922 mL
View the Complete Stock Solution Preparation Table

* Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.

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Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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In Vivo Dissolution Calculator
Please enter the basic information of animal experiments:

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Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.
Calculation results:
Working solution concentration: mg/mL
Purity & Documentation
References

Complete Stock Solution Preparation Table

* Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.

Optional Solvent Concentration Solvent Mass 1 mg 5 mg 10 mg 25 mg
DMSO 1 mM 2.9461 mL 14.7306 mL 29.4612 mL 73.6529 mL
5 mM 0.5892 mL 2.9461 mL 5.8922 mL 14.7306 mL
10 mM 0.2946 mL 1.4731 mL 2.9461 mL 7.3653 mL
15 mM 0.1964 mL 0.9820 mL 1.9641 mL 4.9102 mL
20 mM 0.1473 mL 0.7365 mL 1.4731 mL 3.6826 mL
25 mM 0.1178 mL 0.5892 mL 1.1784 mL 2.9461 mL
30 mM 0.0982 mL 0.4910 mL 0.9820 mL 2.4551 mL
40 mM 0.0737 mL 0.3683 mL 0.7365 mL 1.8413 mL
50 mM 0.0589 mL 0.2946 mL 0.5892 mL 1.4731 mL
60 mM 0.0491 mL 0.2455 mL 0.4910 mL 1.2275 mL
80 mM 0.0368 mL 0.1841 mL 0.3683 mL 0.9207 mL
100 mM 0.0295 mL 0.1473 mL 0.2946 mL 0.7365 mL
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CXCR4-IN-3 Related Classifications

Help & FAQs
  • Do most proteins show cross-species activity?

    Species cross-reactivity must be investigated individually for each product. Many human cytokines will produce a nice response in mouse cell lines, and many mouse proteins will show activity on human cells. Other proteins may have a lower specific activity when used in the opposite species.

Keywords:

CXCR4-IN-3CXCRCXC chemokine receptorsC-X-C motif chemokine receptorsinflammatory bowel diseaseantichemotacticorally activeInhibitorinhibitorinhibit

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