Physicochemical Properties
| Molecular Formula | C14H8CL2N4O3S |
| Molecular Weight | 383.21 |
| CAS # | 2415653-55-1 |
| Appearance | Solid powder |
| 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) |
Biological Activity
| ln Vitro | CXCL-CXCR1/2-IN-1 (compound 10; 1-2.5 μM; 24-48 hours) showed reduced ERK and AKT phosphorylation in A498 cells. CXCL-CXCR1/2-IN-1 also has the ability to inhibit the secretion of CXCL1, CXCL5, and CXCL8, which are representative pro-angiogenic ELR+CXCL cytokines [1]. In renal cell carcinoma (RCC) cell lines (A498, RCC4, 786, and sunitinib-resistant RCC cell line 786-R) and head and neck squamous cell carcinoma (HNSCC) cell lines (CAL33, CAL27, cisplatin and radiotherapy-resistant cell lines, CAL33RR and CAL27RR), CXCL-CXCR1/2-IN-1 (compound 10) showed IC50 values of 2 μM, 2 μM, 2.5 μM, 2 μM, 3 μM, 4 μM, 4 μM, 2.5 μM and 2.5 μM for A498, RCC4, 786, 786-R, CAL33, CAL27, CAL33RR and CAL27RR cells, respectively[1]. CXCL-CXCR1/2-IN-1 inhibited the migration of A498 cancer cells in vitro[1]. |
| ln Vivo | CXCL-CXCR1/2-IN-1 (1 μM; 48 hours) reduces the metastatic area in zebrafish embryos injected with A498 cells[1]. CXCL-CXCR1/2-IN-1 (100 mg/kg; oral gavage; twice a day; for 28 days) inhibits tumor growth in mice[1]. |
| Cell Assay |
Western Blot Analysis[1] Cell Types: A498 Tested Concentrations: 2.5 μM Incubation Duration: 24 or 48 h Experimental Results: Showed a reduction in the phosphorylation of ERK and AKT. RT-PCR[1] Cell Types: A498 Tested Concentrations: 1 or 2.5 μM Incubation Duration: 48 h Experimental Results: Inhibited the levels of CXCL1, CXCL5, CXCL8, and VEGFA mRNA. |
| Animal Protocol |
Animal/Disease Models:Female NOD SCID mice injected with 786 RCC cells[1] Doses: 100 mg/kg Route of Administration: Oral gavage; twice a day; for 28 days Experimental Results: Exhibited remarkable results, with a tumor growth inhibition rate of 87%. |
| References |
[1]. A Potent Solution for Tumor Growth and Angiogenesis Suppression via an ELR+CXCL-CXCR1/2 Pathway Inhibitor. ACS Med. Chem. Lett. April 3, 2024. |
Solubility Data
| Solubility (In Vitro) | DMSO : 4.17 mg/mL (10.88 mM; with sonication (<60°C)) |
| 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 (e.g. IP/IV/IM/SC) Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline) *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). 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)] *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. Injection Formulation 5: 2-Hydroxypropyl-β-cyclodextrin : Saline = 50 : 50 (i.e. 500 μL 2-Hydroxypropyl-β-cyclodextrin → 500 μL Saline) Injection Formulation 6: DMSO : PEG300 : castor oil : Saline = 5 : 10 : 20 : 65 (i.e. 50 μL DMSO → 100 μLPEG300 → 200 μL castor oil → 650 μL Saline) Injection Formulation 7: Ethanol : Cremophor : Saline = 10： 10 : 80 (i.e. 100 μL Ethanol → 100 μL Cremophor → 800 μL Saline) Injection Formulation 8: Dissolve in Cremophor/Ethanol (50 : 50), then diluted by Saline Injection Formulation 9: EtOH : Corn oil = 10 : 90 (i.e. 100 μL EtOH → 900 μL Corn oil) Injection Formulation 10: EtOH : PEG300：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL EtOH → 400 μLPEG300 → 50 μL Tween 80 → 450 μL 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). Oral Formulation 3: Dissolved in PEG400 Oral Formulation 4: Suspend in 0.2% Carboxymethyl cellulose Oral Formulation 5: Dissolve in 0.25% Tween 80 and 0.5% Carboxymethyl cellulose Oral Formulation 6: Mixing with food powders Note: Please be aware that the above formulations are for reference only. InvivoChem strongly recommends customers to read literature methods/protocols carefully before determining which formulation you should use for in vivo studies, as different compounds have different solubility properties and have to be formulated differently. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.6095 mL | 13.0477 mL | 26.0954 mL | |
| 5 mM | 0.5219 mL | 2.6095 mL | 5.2191 mL | |
| 10 mM | 0.2610 mL | 1.3048 mL | 2.6095 mL |