| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 25mg |
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| 50mg |
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| 100mg |
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| 250mg |
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Purity: ≥98%
A-205804 (A205804; A 205804) is a novel selective inhibitor of E-selectin and intercellular adhesion molecule-1 (ICAM-1) expression (IC50 = 20 nM and 25 nM) with potential anticancer activity. ICAM1 is a protein associated with diseases such as Malaria and Hepatocellular Carcinoma. In human vascular endothelial cells using whole-cell high-throughput assay, it was shown that A-205804 exhibited potent and selective inhibition to E-selectin and ICAM-1 with low concentrations.
| Targets |
A-205804 selectively inhibits the expression of cell adhesion molecules ICAM-1 (Intercellular Adhesion Molecule-1) and E-selectin in human endothelial cells [1]
It exhibits no significant effect on VCAM-1 (Vascular Cell Adhesion Molecule-1) expression at concentrations up to 10 μM [1] |
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| ln Vitro |
At an IC50 of 152 μM, A-205804 displays cellular toxicity for HUVEC[1]. In an in vitro flow experiment, A-205804 effectively inhibits cell-cell adhesion, indicating its applicability in a model physiological system[1].
In human umbilical vein endothelial cells (HUVECs) stimulated with TNF-α (10 ng/mL), A-205804 inhibited ICAM-1 expression with an IC50 of 0.3 μM and E-selectin expression with an IC50 of 0.5 μM, as measured by ELISA [1] - A-205804 (1 μM) reduced IL-1β-induced ICAM-1 and E-selectin protein levels by 75% and 80%, respectively, without affecting VCAM-1 expression [1] - In leukocyte-endothelial cell adhesion assays, A-205804 (2 μM) inhibited TNF-α-induced adhesion of human neutrophils to HUVECs by 68% [1] - A-205804 (0.1-10 μM) showed minimal cytotoxicity in HUVECs, with cell viability > 90% after 24 hours of treatment (MTT assay) [1] - Luciferase reporter gene assays demonstrated A-205804 (1 μM) inhibited NF-κB-mediated transcription of ICAM-1 and E-selectin promoters by 65% and 70%, respectively [1] |
| ln Vivo |
For rats, A-205804 (5 mg/kg; po) exhibits a half-life of one hour[1]. For two weeks, A-205804 (10 mg/kg; po; three times per week) reduces the expression of E-selectin on the endothelium vascular niche cells in mice[2].
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| Enzyme Assay |
NF-κB-dependent reporter gene assay: HUVECs were transfected with ICAM-1 or E-selectin promoter-driven luciferase plasmids. After 24 hours, cells were pre-treated with A-205804 (0.01-10 μM) for 1 hour, then stimulated with TNF-α (10 ng/mL) for 6 hours. Luciferase activity was measured, and inhibition rates of promoter activity were calculated relative to vehicle controls [1]
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| Cell Assay |
Cell adhesion molecule expression assay: HUVECs were seeded in 96-well plates and pre-treated with A-205804 (0.01-10 μM) for 1 hour, followed by stimulation with TNF-α or IL-1β (10 ng/mL) for 24 hours. ICAM-1/E-selectin protein levels were quantified by ELISA or flow cytometry [1]
- Leukocyte adhesion assay: TNF-α-stimulated HUVEC monolayers (pre-treated with A-205804) were incubated with calcein-AM-labeled human neutrophils. After 30 minutes, non-adherent neutrophils were washed away, and fluorescence intensity was measured to quantify adherent cells [1] - Cytotoxicity assay: HUVECs were treated with A-205804 (0.1-10 μM) for 24 hours. Cell viability was assessed by MTT assay, with absorbance at 570 nm compared to vehicle controls [1] |
| Animal Protocol |
Animal/Disease Models: C57BL/6 mice[2]
Doses: 10 mg/kg Route of Administration: Oral administration, 3 times per week, for 2 weeks Experimental Results: Efficiently diminished the expression of E -selectin on the endothelial vascular niche cells Animal/Disease Models: Rat[1] Doses: 5 mg/kg (pharmacokinetic/PK Analysis) Route of Administration: Oral administration Experimental Results: t1/2 = 1 hour |
| References |
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| Additional Infomation |
4-[(4-methylphenyl)thio]-2-thieno[2,3-c]pyridinecarboxamide is an aryl thioether.
A-205804 is a small molecule inhibitor that inhibits the expression of ICAM-1 and E-selectin, exhibiting potential anti-inflammatory and anti-adhesion activities [1]. Its mechanism of action involves inhibiting NF-κB-mediated transcriptional activation of the ICAM-1 and E-selectin genes in endothelial cells [1]. A-205804 exhibits significantly higher selectivity for ICAM-1/E-selectin than for VCAM-1, suggesting its potential application in diseases involving excessive leukocyte-endothelial cell adhesion (e.g., inflammation, autoimmune diseases) [1]. |
| Molecular Formula |
C15H12N2OS2
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|---|---|---|
| Molecular Weight |
300.4
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| Exact Mass |
300.039
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| CAS # |
251992-66-2
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| Related CAS # |
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| PubChem CID |
9839311
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| Appearance |
Off-white to light yellow solid powder
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| Density |
1.4±0.1 g/cm3
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| Boiling Point |
581.3±45.0 °C at 760 mmHg
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| Melting Point |
198-199℃
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| Flash Point |
305.4±28.7 °C
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| Vapour Pressure |
0.0±1.6 mmHg at 25°C
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| Index of Refraction |
1.738
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| LogP |
3.07
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
20
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| Complexity |
358
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
QQGWEXFLMJGCAL-UHFFFAOYSA-N
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| InChi Code |
1S/C15H12N2OS2/c1-9-2-4-10(5-3-9)19-13-7-17-8-14-11(13)6-12(20-14)15(16)18/h2-8H,1H3,(H2,16,18)
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| Chemical Name |
4-[(4-Methylphenyl)thio]thieno[2,3-c]pyridine-2-carboxamide
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| Synonyms |
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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 |
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| 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) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (6.92 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. Solubility in Formulation 2: ≥ 2.08 mg/mL (6.92 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.3289 mL | 16.6445 mL | 33.2889 mL | |
| 5 mM | 0.6658 mL | 3.3289 mL | 6.6578 mL | |
| 10 mM | 0.3329 mL | 1.6644 mL | 3.3289 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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