| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 25mg |
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| 50mg |
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| 100mg |
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| 250mg |
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| 500mg |
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| Other Sizes |
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Purity: ≥98%
N6022 is a selective, first-in-class and reversible inhibitor of S-nitrosoglutathione reductase (GSNOR) with IC50 of 8 nM and Ki of 2.5 nM. Inhibition of GSNOR causes the accumulation of GSNO which acts as a vasodilator and anti-inflammatory factor. N6022 presents an IC50 value of 8nM in the GSNO reduction assay and 32nM in the HMGSH oxidation assay. The Ki values are 2.5nM and 3.1nM, respectively. N6022 is selective against GSNOR over other human ADH enzymes. The IC50 values are 21μM, 67μM and 0.5μM for ADH IB, ADH II and ADH IV, respectively.
| ln Vitro |
N6022 binds to rat plasma proteins in a concentration-dependent manner. N6022 has a higher impact on ATP than GSH[1] even at lower pharmacological concentrations (20 μM). With an IC50 of 8 nM and a Ki of 2.5 nM, N6022 functions as a competitive inhibitor when it binds in the GSNO substrate binding pocket. When it comes to cofactors NAD+ and NADH, N6022 is not competitive [2].
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| ln Vivo |
Rats given N6022 (50 mg/kg) showed a modest increase in the incidence of granulomas. N6022 has been found in serum at quantities as high as 5 mg/mL[1].
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| Animal Protocol |
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| References | |||
| Additional Infomation |
N6022 has been used in trials studying the treatment of Asthma and Cystic Fibrosis.
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| Molecular Formula |
C24H22N4O3
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| Molecular Weight |
414.46
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| Exact Mass |
414.169
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| Elemental Analysis |
C, 69.55; H, 5.35; N, 13.52; O, 11.58
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| CAS # |
1208315-24-5
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| Related CAS # |
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| PubChem CID |
44623946
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| Appearance |
white to off-white solid powder
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| Density |
1.3±0.1 g/cm3
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| Boiling Point |
662.7±55.0 °C at 760 mmHg
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| Flash Point |
354.6±31.5 °C
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| Vapour Pressure |
0.0±2.1 mmHg at 25°C
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| Index of Refraction |
1.664
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| LogP |
3.35
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
31
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| Complexity |
636
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| Defined Atom Stereocenter Count |
0
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| SMILES |
OC(CCC1=CC=C(N1C2=CC=C(C(N)=O)C=C2C)C(C=C3)=CC=C3N4C=CN=C4)=O
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| InChi Key |
YVPGZQLRPAGKLA-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C24H22N4O3/c1-16-14-18(24(25)31)4-9-21(16)28-20(8-11-23(29)30)7-10-22(28)17-2-5-19(6-3-17)27-13-12-26-15-27/h2-7,9-10,12-15H,8,11H2,1H3,(H2,25,31)(H,29,30)
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| Chemical Name |
3-(5-(4-(1H-imidazol-1-yl)phenyl)-1-(4-carbamoyl-2-methylphenyl)-1H-pyrrol-2-yl)propanoic acid
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| Synonyms |
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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 |
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| 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) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (6.03 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 (6.03 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.4128 mL | 12.0639 mL | 24.1278 mL | |
| 5 mM | 0.4826 mL | 2.4128 mL | 4.8256 mL | |
| 10 mM | 0.2413 mL | 1.2064 mL | 2.4128 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.
| NCT Number | Recruitment | interventions | Conditions | Sponsor/Collaborators | Start Date | Phases |
| NCT01339897 | COMPLETED | Drug:5 mg/N6022 Drug:Placebo Drug:10mg/N6022 Drug:20mg/N6022 |
Healthy | Nivalis Therapeutics,Inc. | 2011-04 | Phase 1 |
| NCT01147406 | COMPLETED | Drug:N6022 Drug:Placebo |
Healthy | Nivalis Therapeutics,Inc. | 2010-08 | Phase 1 |
| NCT01316315 | COMPLETED | Drug:Active Drug:Placebo |
Asthma | Nivalis Therapeutics,Inc. | 2011-03 | Phase 1 Phase 2 |
| NCT01746784 | COMPLETED | Drug:N6022 Drug:Normal saline |
Cystic Fibrosis | Nivalis Therapeutics,Inc. | 2014-02 | Phase 1 |
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