WZ811Competitive CXCR4 antagonist,highly potent CAS# 55778-02-4 |
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Quality Control & MSDS
Number of papers citing our products
Chemical structure
3D structure
| Cas No. | 55778-02-4 | SDF | Download SDF |
| PubChem ID | 11565518 | Appearance | Powder |
| Formula | C18H18N4 | M.Wt | 290.36 |
| Type of Compound | N/A | Storage | Desiccate at -20°C |
| Solubility | DMSO : 10 mg/mL (34.44 mM; Need ultrasonic) | ||
| Chemical Name | N-[[4-[(pyridin-2-ylamino)methyl]phenyl]methyl]pyridin-2-amine | ||
| SMILES | C1=CC=NC(=C1)NCC2=CC=C(C=C2)CNC3=CC=CC=N3 | ||
| Standard InChIKey | KBVFRXIGQQRMEF-UHFFFAOYSA-N | ||
| Standard InChI | InChI=1S/C18H18N4/c1-3-11-19-17(5-1)21-13-15-7-9-16(10-8-15)14-22-18-6-2-4-12-20-18/h1-12H,13-14H2,(H,19,21)(H,20,22) | ||
| General tips | For obtaining a higher solubility , please warm the tube at 37 ℃ and shake it in the ultrasonic bath for a while.Stock solution can be stored below -20℃ for several months. We recommend that you prepare and use the solution on the same day. However, if the test schedule requires, the stock solutions can be prepared in advance, and the stock solution must be sealed and stored below -20℃. In general, the stock solution can be kept for several months. Before use, we recommend that you leave the vial at room temperature for at least an hour before opening it. |
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| About Packaging | 1. The packaging of the product may be reversed during transportation, cause the high purity compounds to adhere to the neck or cap of the vial.Take the vail out of its packaging and shake gently until the compounds fall to the bottom of the vial. 2. For liquid products, please centrifuge at 500xg to gather the liquid to the bottom of the vial. 3. Try to avoid loss or contamination during the experiment. |
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| Shipping Condition | Packaging according to customer requirements(5mg, 10mg, 20mg and more). Ship via FedEx, DHL, UPS, EMS or other couriers with RT, or blue ice upon request. | ||
| Description | Potent chemokine receptor type 4 (CXCR4) antagonist (EC50 = 0.3 nM). Inhibits CXCR4/stromal cell-derived factor-1 (SDF-1)-mediated modulation of cAMP in vitro (EC50 = 1.2 nM). |
WZ811 Dilution Calculator
WZ811 Molarity Calculator
| 1 mg | 5 mg | 10 mg | 20 mg | 25 mg | |
| 1 mM | 3.444 mL | 17.22 mL | 34.44 mL | 68.88 mL | 86.1 mL |
| 5 mM | 0.6888 mL | 3.444 mL | 6.888 mL | 13.776 mL | 17.22 mL |
| 10 mM | 0.3444 mL | 1.722 mL | 3.444 mL | 6.888 mL | 8.61 mL |
| 50 mM | 0.0689 mL | 0.3444 mL | 0.6888 mL | 1.3776 mL | 1.722 mL |
| 100 mM | 0.0344 mL | 0.1722 mL | 0.3444 mL | 0.6888 mL | 0.861 mL |
| * Note: If you are in the process of experiment, it's necessary to make the dilution ratios of the samples. The dilution data above is only for reference. Normally, it's can get a better solubility within lower of Concentrations. | |||||
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WZ811 is a small molecule antagonist of CXC chemokine receptor 4 (CXCR4) [1].
WZ811 is synthesized with two aromatic amine moieties. It is found to effectively inhibit TN14003 binding to CXCR4 with EC50 value of 0.3nM at first. And then WZ811 is found to have ability in counteracting SDF-1 function and blocking CXCR4/SDF-1-mediated signaling. In the cAMP assay, WZ811 reduces the effect on cAMP caused by 150ng/ml SDF-1 significantly. It also blocks the SDF-1 induced Matrigel invasion with EC50 value of 5.2nM. Since CXCR4 is involved in the pathogeneses of a wide range of infectious, inflammatory and other diseases, WZ811 is developed for the treatment of various CXCR4-related diseases. It is reported to have weak anti-HIV activity in cell culture [1, 2].
References:
[1] Zhan W, Liang Z, Zhu A, et al. Discovery of small molecule CXCR4 antagonists. Journal of medicinal chemistry, 2007, 50(23): 5655-5664.
[2] Choi W T, Duggineni S, Xu Y, et al. Drug discovery research targeting the CXC chemokine receptor 4 (CXCR4). Journal of medicinal chemistry, 2011, 55(3): 977-994.
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Suppression of chronic lymphocytic leukemia progression by CXCR4 inhibitor WZ811.[Pubmed:27725861]
Am J Transl Res. 2016 Sep 15;8(9):3812-3821. eCollection 2016.
CXCR4 is a chemokine and chemokine receptor pair playing critical roles in tumorigenesis. Overexpression of C-X-C chemokine receptor type 4 (CXCR4) is a hallmark of many hematological malignancies including acute myeloid leukemia, chronic lymphocytic leukemia and non-Hodgkin's lymphoma, and generally correlates with a poor prognosis. A highly potent competitive antagonist of CXCR4, WZ811, recently has been identified with suppression of cancer cells aggressive in a variety of cancers. However, the effects of WZ811 on chronic lymphocytic leukemia cells have not yet been defined. The effect of WZ811 on chronic lymphocytic leukemia cells TF-1 and UT-7 cells in proliferation, colony formation, and cell migration in vitro were measured respectively. Decreased in cell viability, colony formation, migration, and survival with cell cycle arrest and higher sensitivity to docetaxel in vitro was observed upon WZ811 treatment. In mouse xenograft models developed with human leukemia cells, WZ811 exhibited tumor growth inhibition. Collectively, we have demonstrated that CXCR4 inhibition by WZ811 has the potential for the treatment of human hematological malignancies. This study demonstrated that WZ811 may be a novel approach in the treatment of chronic lymphocytic leukemia.
Discovery of small molecule CXCR4 antagonists.[Pubmed:17958344]
J Med Chem. 2007 Nov 15;50(23):5655-64.
In light of a proposed molecular mechanism for the C-X-C chemokine receptor type 4 (CXCR4) antagonist 1 (AMD3100), a template with the general structure 2 was designed, and 15 was identified as a lead by means of an affinity binding assay against the ligand-mimicking CXCR4 antagonist 3 (TN14003). Following a structure-activity profile around 15, the design and synthesis of a series of novel small molecular CXCR4 antagonists led to the discovery of 32 (WZ811). The compound shows subnanomolar potency (EC50 = 0.3 nM) in an affinity binding assay. In addition, when subjected to in vitro functional evaluation, 32 efficiently inhibits CXCR4/stromal cell-derived factor-1 (SDF-1)-mediated modulation of cyclic adenosine monophophate (cAMP) levels (EC50 = 1.2 nM) and SDF-1 induced Matrigel invasion (EC50 = 5.2 nM). Molecular field topology analysis (MFTA), a 2D quantitative structure-activity relationship (QSAR) approach based on local molecular properties (Van der Waals radii (VdW), atomic charges, and local lipophilicity), applied to the 32 series suggests structural modifications to improve potency.
