| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| 5mg |
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| 10mg |
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| 100mg | |||
| Other Sizes |
| Targets |
ICAM-1 (IC50 = 0.37 μM for TNF-α-induced expression in HUVECs), E-selectin (IC50 = 0.42 μM for TNF-α-induced expression in HUVECs) [1]
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|---|---|
| ln Vitro |
In human umbilical vein endothelial cells (HUVECs) stimulated with TNF-α (10 ng/mL), ICAM-1-IN-1 dose-dependently inhibited ICAM-1 and E-selectin expression. At 1 μM, it suppressed ICAM-1 expression by 78% and E-selectin expression by 72%, with IC50 values of 0.37 μM and 0.42 μM respectively [1]
In IL-1β (5 ng/mL)-stimulated HUVECs, ICAM-1-IN-1 (0.1-10 μM) also inhibited ICAM-1 and E-selectin expression, with maximal inhibition (68% for ICAM-1, 65% for E-selectin) at 5 μM. No significant inhibition of VCAM-1 expression was observed, confirming selective activity [1] In human dermal microvascular endothelial cells (HDMECs) induced by TNF-α, ICAM-1-IN-1 (0.5 μM) reduced ICAM-1 and E-selectin surface expression by 69% and 64% respectively, as detected by flow cytometry [1] |
| ln Vivo |
ICAM-1-IN-1 exhibited considerable efficacy in rat rheumatoid arthritis models and mice asthma models. ICAM-1-IN-1 reduced the breadth of the inflamed ankle after the ninth day of treatment but had no impact during the acute phase. Treatment with ICAM-1-IN-1 (25 mg/kg) for 21 days effectively reduced ankle joint inflammation in arthritic rats. Significant decreases in eosinophils and serum soluble ICAM-1 (sICAM-1) were found [1].
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| Cell Assay |
HUVECs were cultured in endothelial cell growth medium supplemented with growth factors. Cells were seeded in 96-well plates (5×10⁴ cells/well) and incubated for 24 hours to adhere. ICAM-1-IN-1 was dissolved in DMSO and added at concentration gradients (0.01-10 μM) 1 hour prior to stimulation with TNF-α (10 ng/mL) or IL-1β (5 ng/mL). After 24 hours of incubation, cell culture supernatants were collected, and ICAM-1/E-selectin protein levels were quantified by sandwich ELISA to calculate inhibition rates and IC50 values [1]
HDMECs were cultured in microvascular endothelial cell medium. Cells were plated in 6-well plates (2×10⁵ cells/well) and allowed to confluence. ICAM-1-IN-1 (0.1-5 μM) was added 1 hour before TNF-α (10 ng/mL) stimulation. After 24 hours, cells were harvested, stained with fluorescently labeled anti-ICAM-1 and anti-E-selectin antibodies, and analyzed by flow cytometry to determine surface protein expression levels [1] For selectivity assessment, HUVECs were treated with ICAM-1-IN-1 (1-10 μM) plus TNF-α, and VCAM-1 expression was measured by ELISA. No significant reduction in VCAM-1 levels was observed compared to vehicle control [1] |
| References | |
| Additional Infomation |
ICAM-1-IN-1 is a derivative of 4-(aryloxy)thieno[2,3-c]pyridine, with its C-2 ureido group modified to enhance selectivity and potency [1]. This compound exerts its activity by inhibiting the expression of ICAM-1 and E-selectin, key adhesion molecules involved in leukocyte-endothelial cell interactions, which are crucial for inflammatory and immune responses. Its selectivity for ICAM-1/E-selectin is higher than that for VCAM-1, suggesting potential applications in treating inflammatory diseases mediated by these molecules [1].
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| Molecular Formula |
C15H11BRN2O2S
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|---|---|
| Molecular Weight |
363.2290
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| Exact Mass |
361.972
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| CAS # |
251994-14-6
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| PubChem CID |
10361323
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| Appearance |
White to off-white solid powder
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| LogP |
3.7
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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 |
21
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| Complexity |
377
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| Defined Atom Stereocenter Count |
0
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| SMILES |
BrC1C([H])=C([H])C(=C([H])C=1[H])OC1=C([H])N=C([H])C2=C1C([H])=C(C(N([H])C([H])([H])[H])=O)S2
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| InChi Key |
OFXAEWYLVPBGGU-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C15H11BrN2O2S/c1-17-15(19)13-6-11-12(7-18-8-14(11)21-13)20-10-4-2-9(16)3-5-10/h2-8H,1H3,(H,17,19)
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| Chemical Name |
4-(4-bromophenoxy)-N-methylthieno[2,3-c]pyridine-2-carboxamide
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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) |
DMSO : ≥ 135 mg/mL (~371.67 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.25 mg/mL (6.19 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% 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 22.5 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.25 mg/mL (6.19 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 22.5 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. View More
Solubility in Formulation 3: ≥ 2.25 mg/mL (6.19 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.7531 mL | 13.7654 mL | 27.5308 mL | |
| 5 mM | 0.5506 mL | 2.7531 mL | 5.5062 mL | |
| 10 mM | 0.2753 mL | 1.3765 mL | 2.7531 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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