| Size | Price | Stock | Qty |
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| 5mg |
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| Other Sizes |
| Targets |
The primary target of alpha5beta1 integrin agonist-1 is the alpha5beta1 integrin heterodimer. This agonist binds to the extracellular domain of the integrin and induces a conformational change that shifts the receptor from a low-affinity to a high-affinity state. The activated alpha5beta1 integrin exhibits increased binding to its primary ECM ligand, fibronectin, triggering downstream focal adhesion kinase (FAK) and Src family kinase signaling pathways.
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| ln Vitro |
In vitro, alpha5beta1 integrin agonist-1 enhances cell adhesion to fibronectin-coated surfaces in a dose-dependent manner. It promotes the formation of focal adhesions and stress fibers in cells that endogenously express alpha5beta1 integrin. The compound can be used to rescue cell adhesion in contexts where alpha5beta1 integrin function is compromised, and its activity can be specifically blocked by a function-blocking anti-alpha5 antibody.
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| ln Vivo |
Specific in vivo efficacy data for this compound is not detailed in the provided literature. However, an alpha5beta1 integrin agonist could theoretically be used to promote wound healing or tissue regeneration by enhancing cell-ECM interactions. Local administration of such an agonist in an animal model of excisional wound healing might accelerate re-epithelialization and granulation tissue formation by promoting fibroblast and keratinocyte adhesion and migration.
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| Enzyme Assay |
For a cell-free system, an enzyme-linked immunosorbent assay (ELISA) can be used to measure the binding affinity of the agonist to purified recombinant alpha5beta1 integrin protein. The integrin is immobilized on a plate, and increasing concentrations of the compound are added. Binding is detected using an antibody specific for the activated conformation of the integrin. Surface plasmon resonance (SPR) can also be used to determine the kinetics of binding (kon and koff).
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| Cell Assay |
In cellular assays, cells expressing alpha5beta1 integrin (e.g., primary fibroblasts or specific cancer cell lines) are seeded in multi-well plates pre-coated with fibronectin. The cells are treated with alpha5beta1 integrin agonist-1 for varying time points. Cell adhesion is quantified by washing away non-adherent cells and measuring the number of adherent cells by staining with a fluorescent dye (e.g., Calcein-AM). Cell migration can be assessed using a scratch wound assay or a Boyden chamber assay.
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| Animal Protocol |
While a specific animal protocol is not provided, an in vivo wound healing model would be suitable. Full-thickness excisional wounds are created on the dorsal skin of mice. The alpha5beta1 integrin agonist-1 is formulated in a topical gel or solution and applied to the wound site daily. Wound closure is monitored by digital imaging over a period of 7-14 days. At the end of the study, the wound tissue is harvested for histological analysis (e.g., H&E and Masson's Trichrome staining) to assess re-epithelialization and collagen deposition.
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| ADME/Pharmacokinetics |
Specific ADME data for alpha5beta1 integrin agonist-1 is not available. As a small molecule, its topical formulation for wound healing would aim to maximize local concentration at the site of action while minimizing systemic absorption. Its solubility and LogP are key parameters optimized for skin penetration. For systemic studies, it would likely require a formulation like 5% DMSO in water for injection.
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| Toxicity/Toxicokinetics |
No specific toxicology data is presented. As an activator of a key cell adhesion receptor, the primary safety concern would be the potential for systemic activation of alpha5beta1 integrin, which could lead to unwanted cell adhesion or migration (e.g., promoting tumor metastasis or excessive fibrosis). In the context of localized topical application, the risk of systemic toxicity is expected to be low, but detailed studies are lacking.
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| References | |
| Additional Infomation |
Integrins are critical for cellular communication with the ECM, and alpha5beta1 is one of the most extensively studied members of this family. Agonists of integrins are less common than antagonists, making alpha5beta1 integrin agonist-1 a unique research tool for studying the activation mechanism of integrins. It is used in preclinical research to understand fundamental cellular processes and has no approved clinical indications.
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| Molecular Formula |
C24H26FN5O9
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|---|---|
| Molecular Weight |
547.49
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| Exact Mass |
547.171
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| CAS # |
2756557-83-0
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| PubChem CID |
163323734
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| Appearance |
White to off-white solid powder
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| Density |
1.51±0.1 g/cm3(Predicted)
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| LogP |
-0.5
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| Hydrogen Bond Donor Count |
4
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| Hydrogen Bond Acceptor Count |
10
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| Rotatable Bond Count |
11
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| Heavy Atom Count |
39
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| Complexity |
1080
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| Defined Atom Stereocenter Count |
3
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| SMILES |
CC1=CC=CC=C1NC(=O)N2[C@@H]([C@H](C2=O)[C@@H](C)OC(=O)CCNC(=O)CN3C=C(C(=O)NC3=O)F)CC(=O)O
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| InChi Key |
VYBDMSHMVUFIRG-OWDMVUQNSA-N
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| InChi Code |
InChI=1S/C24H26FN5O9/c1-12-5-3-4-6-15(12)27-24(38)30-16(9-18(32)33)20(22(30)36)13(2)39-19(34)7-8-26-17(31)11-29-10-14(25)21(35)28-23(29)37/h3-6,10,13,16,20H,7-9,11H2,1-2H3,(H,26,31)(H,27,38)(H,32,33)(H,28,35,37)/t13-,16-,20-/m1/s1
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| Chemical Name |
2-[(2R,3S)-3-[(1R)-1-[3-[[2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoyloxy]ethyl]-1-[(2-methylphenyl)carbamoyl]-4-oxoazetidin-2-yl]acetic acid
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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: 100 mg/mL (182.65 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (4.57 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 25.0 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: ≥ 2.5 mg/mL (4.57 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 25.0 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: ≥ 2.5 mg/mL (4.57 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 | 1.8265 mL | 9.1326 mL | 18.2652 mL | |
| 5 mM | 0.3653 mL | 1.8265 mL | 3.6530 mL | |
| 10 mM | 0.1827 mL | 0.9133 mL | 1.8265 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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