| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
P-selectin; PSGL-1 (P-selectin glycoprotein ligand-1). KF38789 is a selective inhibitor of P-selectin-PSGL-1 binding. P-selectin is a cell adhesion molecule that mediates the rolling of leukocytes on activated endothelium. By inhibiting P-selectin-mediated cell adhesion, KF38789 blocks the interaction between P-selectin and its ligand PSGL-1, reducing leukocyte recruitment and inflammation.
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| ln Vitro |
KF38789 prevents human polymorphonuclear cells from producing superoxide when P-selectin is present. KF38789 administered intravenously dramatically reduces the leukocyte buildup in the mouse peritoneal cavity caused by thioglycollate (TG)[1]. With an IC50 value of 1.97±0.74 μM, KF38789 exhibits a concentration-dependent reduction of U937 cell adhesion to immobilized P-selectin-Ig[1]. In mouse peritonitis, KF38789 selectively inhibits leukocyte recruitment and P-selectin-dependent cell adhesion[1]. Over an 8-hour period, KF38789 (5 μM) considerably lowers (by about 40%) the closure of a 500-μm gap between confluent sheets of Human Corneal Epithelial (HCE)-T cells[2]. KF38789 (5 μM) inhibits the migration of corneal epithelial cells [2].
KF38789 inhibits the binding of U937 cells to immobilized P-selectin immunoglobulin G chimeric protein (P-selectin-Ig) with an IC₅₀ of 1.97 µM. It is selective for P-selectin-mediated cell adhesion over E- and L-selectin-mediated adhesion of U937 and HL-60 cells at 100 µM. It decreases P-selectin-induced production of superoxide by isolated human polymorphonuclear leukocytes (PMNs) at 0.1-10 µM. It reduces proliferation of T47D triple-negative breast and HCT116 colon cancer cells (EC₅₀s = 0.41 and 0.56 µM). |
| ln Vivo |
Leukocyte accumulation in vivo and P-selectin-mediated binding in vitro can both be inhibited by KF38789[1]. Mechanical allodynia in the face carrageenan-injected mice is considerably reduced by intraperitoneal injection of the P-selectin inhibitor KF38789 (10 mg/kg per day for 12 days)[3].
In vivo, KF38789 (1 mg/kg) has been studied for its effects on P-selectin-mediated inflammation and cancer. By inhibiting P-selectin-mediated cell adhesion, it reduces leukocyte recruitment and inflammation. It also reduces proliferation of cancer cells. Further in vivo studies are needed to fully characterize its pharmacokinetic and pharmacodynamic properties, as well as its efficacy and safety profile. |
| Enzyme Assay |
Non-cell-based assays for KF38789 include P-selectin binding assays measuring inhibition of P-selectin-PSGL-1 interaction. The compound is tested for its ability to inhibit binding of P-selectin to its ligand in cell-free systems. Standard analytical methods including HPLC, NMR, and mass spectrometry are used for compound characterization and purity assessment.
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| Cell Assay |
Cell-based assays for KF38789 use U937 cells to assess inhibition of binding to immobilized P-selectin immunoglobulin G chimeric protein (P-selectin-Ig). HL-60 cells are used to assess selectivity over L-selectin-mediated adhesion. Human polymorphonuclear leukocytes (PMNs) are used to assess inhibition of P-selectin-induced superoxide production. Cancer cell lines T47D and HCT116 are used to assess proliferation inhibition.
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| Animal Protocol |
Animal/Disease Models: BALB/c mice[1]
Doses: 1 mg/kg Route of Administration: intravenously (iv) administered Experimental Results: Dramatically decreased leukocyte accumulation. Animal/Disease Models: Twenty-four adult male C57BL/6J (B6) mice, about 6-8 weeks of age and weighing approximately 20-30 g[3] Doses: 10 mg/kg, 1 mg/kg, 0.1 mg/kg, 0.01 mg/kg or 0.001 mg/kg Route of Administration: intraperitoneal (ip) injection daily for 12 days Experimental Results: Dramatically decreased mechanical allodynia in the facial carrageenan-injected mice. In vivo studies of KF38789 are conducted in animal models of inflammation and cancer. The compound is administered via intraperitoneal or intravenous injection. Inflammatory markers, leukocyte recruitment, tumor growth, and survival are assessed. Pharmacokinetic parameters are determined from blood samples. The compound's therapeutic potential in P-selectin-mediated diseases is evaluated. |
| ADME/Pharmacokinetics |
KF38789 has a molecular formula of C₁₉H₂₁NO₅S and a molecular weight of 375.44 g/mol. Purity is ≥98%. It is a solid. Storage: -20°C. It is soluble in acetonitrile (≥10 mg/ml). It is a selective inhibitor of P-selectin-mediated cell adhesion.
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| Toxicity/Toxicokinetics |
Specific toxicity data for KF38789 are limited. As an investigational compound, its safety profile is being evaluated in preclinical studies. It is intended for research use only and is not for human therapeutic applications. Standard laboratory safety practices should be followed when handling this compound.
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| References |
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| Additional Infomation |
3-[7-(2,4-dimethoxyphenyl)-1,4-thiazolidin-5-ylidene]-6-methylpyran-2,4-dione is a dimethoxyphenyl.
KF38789 is a selective inhibitor of P-selectin-mediated cell adhesion. It inhibits the binding of U937 cells to immobilized P-selectin-Ig with an IC₅₀ of 1.97 µM. It is selective for P-selectin over E- and L-selectin. It decreases P-selectin-induced superoxide production by PMNs and reduces proliferation of T47D and HCT116 cancer cells (EC₅₀s = 0.41 and 0.56 µM). It is for research use only. |
| Molecular Formula |
C19H21NO5S
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|---|---|
| Molecular Weight |
375.44
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| Exact Mass |
375.114
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| CAS # |
257292-29-8
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| PubChem CID |
135400439
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| Appearance |
Light yellow to yellow solid powder
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| Density |
1.265g/cm3
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| Boiling Point |
569.5ºC at 760mmHg
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| Vapour Pressure |
5.54E-13mmHg at 25°C
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| Index of Refraction |
1.583
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| LogP |
2.773
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
26
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| Complexity |
642
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC1=CC(=C(C(=O)O1)C2=NCCSC(C2)C3=C(C=C(C=C3)OC)OC)O
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| InChi Key |
NHFIAAAMCYVRIW-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C19H21NO5S/c1-11-8-15(21)18(19(22)25-11)14-10-17(26-7-6-20-14)13-5-4-12(23-2)9-16(13)24-3/h4-5,8-9,17,21H,6-7,10H2,1-3H3
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| Chemical Name |
3-[7-(2,4-dimethoxyphenyl)-2,3,6,7-tetrahydro-1,4-thiazepin-5-yl]-4-hydroxy-6-methylpyran-2-one
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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 |
| 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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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| 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 | 2.6635 mL | 13.3177 mL | 26.6354 mL | |
| 5 mM | 0.5327 mL | 2.6635 mL | 5.3271 mL | |
| 10 mM | 0.2664 mL | 1.3318 mL | 2.6635 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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