| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
|
||
| 10mg |
|
||
| 100mg | |||
| 250mg | |||
| Other Sizes |
| Targets |
Integrin αvβ3.
|
|---|---|
| ln Vitro |
INVIVO-4976 binds to integrin αvβ3 with an affinity of 18 nM. By antagonizing αvβ3, it inhibits cell adhesion to extracellular matrix proteins (e.g., vitronectin, fibronectin), reduces cell migration and invasion, and may inhibit angiogenesis.
|
| ln Vivo |
INVIVO-4976 inhibits cancer cell adhesion, migration, and invasion by blocking integrin αvβ3-mediated interactions with the extracellular matrix. It induces apoptosis in αvβ3-positive cancer cells. The compound can be conjugated to paclitaxel for targeted delivery to αvβ3-positive metastatic cancer cells, potentially enhancing therapeutic efficacy and reducing systemic toxicity.
|
| Enzyme Assay |
Integrin αvβ3 binding affinity is measured using solid-phase binding assays or surface plasmon resonance. Immobilized integrin αvβ3 is incubated with biotinylated ligands (e.g., vitronectin) and varying concentrations of INVIVO-4976. The displacement of ligand binding is detected to determine binding affinity (IC50 or Kd).
|
| Cell Assay |
αvβ3-positive cancer cell lines (e.g., melanoma, glioblastoma, breast cancer) are treated with INVIVO-4976 at various concentrations. Cell adhesion to vitronectin- or fibronectin-coated plates is assessed. Cell migration and invasion are evaluated using transwell or wound healing assays. Apoptosis is assessed by Annexin V/PI staining.
|
| Animal Protocol |
INVIVO-4976 is evaluated in mouse models of cancer metastasis. Tumor-bearing or metastasis model mice are treated with INVIVO-4976 alone or conjugated to paclitaxel via intraperitoneal or intravenous administration. Tumor growth, metastasis formation, and survival are monitored.
|
| ADME/Pharmacokinetics |
INVIVO-4976 is a small-molecule integrin antagonist with molecular weight and formula available in primary research publications. As a targeted anticancer agent, it is suitable for both in vitro cell-based studies and in vivo efficacy evaluation. Detailed PK parameters are available in primary research publications.
|
| Toxicity/Toxicokinetics |
Preclinical toxicity data for INVIVO-4976 are limited. As an integrin antagonist, potential on-target effects may include modulation of angiogenesis and wound healing. Standard toxicological assessments would be required for clinical development.
|
| References | |
| Additional Infomation |
INVIVO-4976 is a research tool for studying integrin biology, cancer metastasis, and targeted drug delivery. Its mechanism involves antagonizing integrin αvβ3, inhibiting cell adhesion, migration, and angiogenesis. It can be conjugated to chemotherapeutic agents for targeted delivery. No clinical trials or approved indications exist.
|
| Molecular Formula |
C24H20N4O5
|
|---|---|
| Molecular Weight |
444.439405441284
|
| Exact Mass |
444.143
|
| CAS # |
593274-97-6
|
| PubChem CID |
6148173
|
| Appearance |
Light yellow to yellow solid powder
|
| LogP |
2.5
|
| Hydrogen Bond Donor Count |
3
|
| Hydrogen Bond Acceptor Count |
5
|
| Rotatable Bond Count |
6
|
| Heavy Atom Count |
33
|
| Complexity |
820
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
O=C(O)C1=CC=CC(N2C(/C=C(C(N3CC(NC4=CC=C(C)C=C4)=O)=O)\NC3=O)=CC=C2)=C1
|
| InChi Key |
BJCKKLXERBMNHP-MOSHPQCFSA-N
|
| InChi Code |
InChI=1S/C24H20N4O5/c1-15-7-9-17(10-8-15)25-21(29)14-28-22(30)20(26-24(28)33)13-19-6-3-11-27(19)18-5-2-4-16(12-18)23(31)32/h2-13H,14H2,1H3,(H,25,29)(H,26,33)(H,31,32)/b20-13-
|
| Chemical Name |
3-[2-[(Z)-[1-[2-(4-methylanilino)-2-oxoethyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]pyrrol-1-yl]benzoic acid
|
| Synonyms |
INVIVO4976; Integrin Antagonist 27; INVIVO-4976
|
| 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)
|
| Solubility (In Vitro) |
DMSO : ≥ 100 mg/mL (~225.00 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.63 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 (5.63 mM) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution; with ultrasonication. 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 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 | 2.2500 mL | 11.2501 mL | 22.5002 mL | |
| 5 mM | 0.4500 mL | 2.2500 mL | 4.5000 mL | |
| 10 mM | 0.2250 mL | 1.1250 mL | 2.2500 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
