| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
|
||
| 10mg |
|
||
| 50mg |
|
||
| 100mg |
|
||
| Other Sizes |
| Targets |
The primary target is ERAP2, a zinc-dependent aminopeptidase in the endoplasmic reticulum that trims N-terminal residues from peptides and is involved in antigen presentation, blood-pressure regulation, and inflammatory responses; ERAP2-IN-1 binds ERAP2 non-competitively and inhibits its peptidase activity, with selectivity over ERAP1.
|
|---|---|
| ln Vitro |
ERAP2-IN-1 inhibits ERAP2 peptide hydrolysis with IC50 = 27 µM for Arg-AMC and 44 µM for model peptide hydrolysis; it is a non-competitive inhibitor with selectivity over ERAP1 (72-fold selectivity for ERAP2 over ERAP1 for the related DG011A compound), and it blocks ERAP2-mediated peptide trimming in cellular assays.
|
| ln Vivo |
In vivo data for ERAP2-IN-1 are limited in the public literature; the compound is primarily characterized by in vitro ERAP2 inhibition and selectivity profiling, and its pharmacokinetics, tolerability, and efficacy in animal models of immune or cardiovascular disease have not been extensively reported.
|
| Enzyme Assay |
ERAP2 activity is measured by incubating recombinant ERAP2 with a fluorogenic substrate (Arg-AMC) or a model peptide in the presence of graded ERAP2-IN-1 concentrations; substrate hydrolysis is monitored fluorometrically or by HPLC, and IC50 values are calculated. Inhibition type is determined by Lineweaver–Burk analysis, and selectivity is assessed against ERAP1 and other aminopeptidases.
|
| Cell Assay |
Antigen-presenting cells or ERAP2-expressing cell lines are treated with ERAP2-IN-1 (0.1–100 µM); ERAP2 activity in cell lysates is measured with Arg-AMC, MHC class I peptide presentation is assessed by flow cytometry or T-cell activation assays, and cytokine production by ELISA; cell viability is measured by metabolic assays.
|
| Animal Protocol |
Mice or rats receive ERAP2-IN-1 by intraperitoneal or oral administration at doses selected from pharmacokinetic studies; ERAP2 activity in tissues is measured ex vivo, antigen-specific T-cell responses are quantified by ELISpot or flow cytometry, and blood pressure is monitored in hypertension models; plasma drug concentrations are measured to correlate ERAP2 inhibition with immune or hemodynamic effects.
|
| References |
| Molecular Formula |
C20H21F3N2O5S
|
|---|---|
| Molecular Weight |
458.45135474205
|
| Exact Mass |
458.112
|
| CAS # |
2420551-38-6
|
| PubChem CID |
85470736
|
| Appearance |
White to off-white solid powder
|
| LogP |
3.8
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
10
|
| Rotatable Bond Count |
6
|
| Heavy Atom Count |
31
|
| Complexity |
721
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)NC2=C(C=C(C=C2)C(F)(F)F)N3CCCCC3
|
| InChi Key |
BGLAMEXMBJAJBI-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C20H21F3N2O5S/c1-30-17-8-5-13(19(26)27)11-18(17)31(28,29)24-15-7-6-14(20(21,22)23)12-16(15)25-9-3-2-4-10-25/h5-8,11-12,24H,2-4,9-10H2,1H3,(H,26,27)
|
| Chemical Name |
4-methoxy-3-[[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]sulfamoyl]benzoic acid
|
| 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 : ~250 mg/mL (~545.32 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (4.54 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 20.8 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: ≥ 2.08 mg/mL (4.54 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 | 2.1813 mL | 10.9063 mL | 21.8126 mL | |
| 5 mM | 0.4363 mL | 2.1813 mL | 4.3625 mL | |
| 10 mM | 0.2181 mL | 1.0906 mL | 2.1813 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
