| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
|
||
| 5mg |
|
||
| 10mg |
|
||
| 25mg |
|
||
| 50mg |
|
||
| 100mg | |||
| 250mg | |||
| 500mg | |||
| Other Sizes |
| Targets |
CDE-096 targets plasminogen activator inhibitor-1 (PAI-1), the primary physiological inhibitor of tissue plasminogen activator (tPA) and urokinase plasminogen activator (uPA). By inhibiting PAI-1, CDE-096 prevents the inactivation of tPA and uPA, promoting fibrinolysis and the degradation of extracellular matrix. This mechanism is relevant to thrombotic and fibrotic diseases.
|
|---|---|
| ln Vitro |
CDE-096 is effective against vitronectin-bound PAI-1 as well as free PAI-1. With nanomolar affinity, CDE-096 binds to PAI-1 and causes conformational changes that inhibit binding to vitronectin and proteases [1].
CDE-096 is a potent inhibitor of PAI-1 with an IC50 of 30 nM for tPA and 25 nM for uPA. It inhibits glycosylated PAI-1 and PAI-1 from mouse, rat, and porcine sources with IC50 values of 19, 22, and 18 nM, respectively. The compound's potent inhibitory activity across species makes it a valuable tool for studying PAI-1 function. |
| ln Vivo |
Specific in vivo activity data for CDE-096 is not extensively detailed in the available literature. As a PAI-1 inhibitor, it has potential applications in thrombotic and fibrotic diseases. Further studies are needed to fully characterize its in vivo efficacy in animal models of these diseases. Its potent in vitro activity suggests potential for in vivo efficacy.
|
| Enzyme Assay |
CDE-096's activity as a PAI-1 inhibitor is assessed using in vitro enzyme assays that measure its ability to prevent PAI-1 from inhibiting tPA or uPA. These assays typically involve incubating PAI-1 with the compound and then adding tPA or uPA. The residual activity of tPA or uPA is measured using a chromogenic substrate to determine the IC50.
|
| Cell Assay |
Cellular assays for CDE-096 would involve treating cells that express PAI-1 with the compound and measuring its effects on PAI-1 activity and downstream processes such as fibrinolysis and cell migration. The compound's ability to inhibit PAI-1-mediated effects on extracellular matrix degradation can also be assessed.
|
| Animal Protocol |
In vivo animal model protocols for CDE-096 would involve its administration to animal models of thrombotic or fibrotic diseases. The compound's effects on fibrinolysis, clot resolution, and tissue fibrosis would be assessed. Studies may also evaluate its effects on biomarkers of PAI-1 activity.
|
| ADME/Pharmacokinetics |
CDE-096 has a molecular weight of 583.42 and a molecular formula of C25H20F3NO12. It is soluble in DMSO and is supplied as a solid. Specific pharmacokinetic data is not extensively detailed in the available literature. As a small molecule inhibitor, its pharmacokinetic properties would need to be evaluated in preclinical studies.
|
| Toxicity/Toxicokinetics |
CDE-096 is intended for research use only and not for human consumption. As a research compound, its comprehensive toxicological profile may not be fully characterized. Standard safety assessments would be required for clinical development. The compound is typically stored under recommended conditions.
|
| References | |
| Additional Infomation |
CDE-096 (CAS# 1228357-04-7) is a research compound used to study PAI-1 function and its role in thrombotic and fibrotic diseases. It is a potent PAI-1 inhibitor with activity against PAI-1 from multiple species. It is not approved for clinical use. The compound is a valuable tool for investigating the therapeutic potential of PAI-1 inhibition.
|
| Molecular Formula |
C25H20F3NO12
|
|---|---|
| Molecular Weight |
583.421018600464
|
| Exact Mass |
583.093
|
| CAS # |
1228357-04-7
|
| PubChem CID |
59350299
|
| Appearance |
White to off-white solid powder
|
| LogP |
3.4
|
| Hydrogen Bond Donor Count |
7
|
| Hydrogen Bond Acceptor Count |
15
|
| Rotatable Bond Count |
11
|
| Heavy Atom Count |
41
|
| Complexity |
884
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
FC(C1C=CC=C(C=1)OC(NCC(COC(C1C=C(C(=C(C=1)O)O)O)=O)OC(C1C=C(C(=C(C=1)O)O)O)=O)=O)(F)F
|
| InChi Key |
OXWKLJPAKUDPJY-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C25H20F3NO12/c26-25(27,28)13-2-1-3-14(8-13)41-24(38)29-9-15(40-23(37)12-6-18(32)21(35)19(33)7-12)10-39-22(36)11-4-16(30)20(34)17(31)5-11/h1-8,15,30-35H,9-10H2,(H,29,38)
|
| Chemical Name |
[3-[[3-(trifluoromethyl)phenoxy]carbonylamino]-2-(3,4,5-trihydroxybenzoyl)oxypropyl] 3,4,5-trihydroxybenzoate
|
| Synonyms |
CDE096; CDE 096; CDE-096
|
| 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 Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light. |
| 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 (~171.40 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (4.29 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 (4.29 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 (4.29 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 | 1.7140 mL | 8.5702 mL | 17.1403 mL | |
| 5 mM | 0.3428 mL | 1.7140 mL | 3.4281 mL | |
| 10 mM | 0.1714 mL | 0.8570 mL | 1.7140 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
