| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
IC50: 10 μg/mL (Pseudomonas aeruginosa ATP synthase)[1]
Pseudomonas aeruginosa ATP synthase |
|---|---|
| ln Vitro |
Compound 22, also known as ATP synthase inhibitor 2, (0-256 μg/mL; 12-15 h) inhibits Pseudomonas aeruginosa's ability to synthesize ATP, although it does not exhibit whole cell antibiotic activity[1].
ATP synthase inhibitor 2 (compound 22) is a PA ATP synthase inhibitor with an IC₅0 of 10 ug/mL. It completely inhibits Pseudomonas aeruginosa ATP synthesis activity at 128 ug/mL. Treatment with 0‑256 ug/mL for 12‑15 h inhibits ATP synthase but does not show whole‑cell antibiotic activity against Pseudomonas aeruginosa. |
| ln Vivo |
No detailed in vivo activity data for ATP synthase inhibitor 2 has been reported. The lack of whole‑cell antibiotic activity suggests limited efficacy in live bacterial cultures, possibly due to poor membrane permeability or efflux. However, it remains a valuable biochemical tool for studying ATP synthase function.
|
| Enzyme Assay |
For non‑cellular ATP synthase assays, Pseudomonas aeruginosa membranes are isolated and incubated with ATP synthase inhibitor 2 (0‑256 ug/mL) in the presence of ATP. ATP synthesis or hydrolysis activity is measured by quantifying ATP levels using a luciferase‑based assay or by measuring NADH oxidation. IC₅0 values are calculated from dose‑response curves.
|
| Cell Assay |
Cell Viability Assay[1]
Cell Types: MSSA and WTPA Tested Concentrations: 0-256 μg/mL Incubation Duration: 12-15 hrs (hours) Experimental Results: demonstrated no activities against MSSA and WTPA (MICs>128 μg/mL and >256 μg/mL, respectively). ATP synthase inhibitor 2 is dissolved in DMSO and diluted in assay buffer (final DMSO ≤1%). Pseudomonas aeruginosa cultures are treated with compound at 0‑256 ug/mL for 12‑15 h. ATP levels are measured using a luciferase‑based assay. Bacterial growth is monitored by OD₆00 measurement to assess whole‑cell antibiotic activity. |
| Animal Protocol |
No detailed in vivo protocol for ATP synthase inhibitor 2 has been reported. Given the lack of whole‑cell antibiotic activity, in vivo efficacy studies are unlikely to be performed. If used, the compound would be formulated in a suitable vehicle and administered systemically or locally to infected animals.
|
| ADME/Pharmacokinetics |
No PK data for ATP synthase inhibitor 2 has been reported. As a biochemical tool not intended for in vivo use, PK properties have not been characterized. Molecular weight: 382.48 (C21H22N2O3S).
|
| Toxicity/Toxicokinetics |
No toxicity data for ATP synthase inhibitor 2 has been reported. As a compound that does not exhibit whole‑cell antibiotic activity, toxicity to human cells is likely minimal at concentrations that inhibit bacterial ATP synthase in vitro. However, no formal toxicology studies have been performed.
|
| References | |
| Additional Infomation |
ATP synthase inhibitor 2 (compound 22; CAS: 2814540-76-4; formula: C21H22N2O3S; MW: 382.48) is a research compound that inhibits Pseudomonas aeruginosa ATP synthase with an IC₅0 of 10 ug/mL. It completely inhibits ATP synthesis at 128 ug/mL but does not show whole‑cell antibiotic activity. This compound is a valuable tool for studying ATP synthase function and Pseudomonas aeruginosa metabolism. No clinical applications have been reported.
|
| Molecular Formula |
C21H22N2O3S
|
|---|---|
| Molecular Weight |
382.48
|
| Exact Mass |
382.135
|
| CAS # |
2814540-76-4
|
| Related CAS # |
ATP synthase inhibitor 2 TFA
|
| PubChem CID |
164887566
|
| Appearance |
White to off-white solid powder
|
| LogP |
4
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
6
|
| Rotatable Bond Count |
8
|
| Heavy Atom Count |
27
|
| Complexity |
470
|
| Defined Atom Stereocenter Count |
1
|
| SMILES |
C(C1=CC2C=CC=CC=2N=C1SC)N[C@H](C(=O)OC)CC1C=CC(=CC=1)O
|
| InChi Key |
WIDVPHSBAXLSEU-IBGZPJMESA-N
|
| InChi Code |
InChI=1S/C21H22N2O3S/c1-26-21(25)19(11-14-7-9-17(24)10-8-14)22-13-16-12-15-5-3-4-6-18(15)23-20(16)27-2/h3-10,12,19,22,24H,11,13H2,1-2H3/t19-/m0/s1
|
| Chemical Name |
methyl (2S)-3-(4-hydroxyphenyl)-2-[(2-methylsulfanylquinolin-3-yl)methylamino]propanoate
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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: 250 mg/mL (653.63 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (5.44 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 20.8 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. Solubility in Formulation 2: ≥ 2.08 mg/mL (5.44 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 | 2.6145 mL | 13.0726 mL | 26.1452 mL | |
| 5 mM | 0.5229 mL | 2.6145 mL | 5.2290 mL | |
| 10 mM | 0.2615 mL | 1.3073 mL | 2.6145 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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