AU1235
Based on 3 publication(s) in Google Scholar
AU1235, an adamantyl urea, is a potent MmpL3 inhibitor. The Mycobacterium tuberculosis protein MmpL3 performs an essential role in cell wall synthesis, since it effects the transport of trehalose monomycolates across the inner membrane.
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- Pureza: 98.23%
- No. CAS: 1338780-86-1
- Fòrmula: C17H19F3N2O
- Peso molecular:324.34
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Almacenamiento:Powder -20°C, 3 years , 4°C, 2 years ; In solvent -80°C, 2 years , -20°C, 1 year
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Actividad biológica
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Chemical Information
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Solvente y solubilidad
- Pureza y Documentación
- Referencias
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Publications Citing Use of MedChemExpress (MCE) AU1235
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Actividad biológica
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Cell Line
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Type | Value | Description | References |
|---|---|---|---|---|
| Sf21 | IC50 |
0.4 nM
Compound: 1
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Inhibition of recombinant human liver soluble epoxide hydrolase expressed in baculovirus infected Sf21 cells using NEPC as substrate by fluorescence based assay
Inhibition of recombinant human liver soluble epoxide hydrolase expressed in baculovirus infected Sf21 cells using NEPC as substrate by fluorescence based assay
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[PMID: 31488357] |
| Vero | IC50 |
725.8 μg/mL
Compound: 2
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Cytotoxicity against african green monkey Vero cells after 72 hrs by MTT assay
Cytotoxicity against african green monkey Vero cells after 72 hrs by MTT assay
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[PMID: 21840723] |
AU1235 is similarly active against MDR isolates of M. tb displaying resistance to isoniazid, rifampicin, and pyrazinamide in addition to streptomycin, fluoroquinolones and/or ethambutol. AU1235 also inhibits Mycobacterium smegmatis and Mycobacterium fortuitum although the MICs (3.2 to 6.4 μg/ml) are significantly higher than against M. tb and M. bovis BCG[2].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
Chemical Information
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No. CAS 1338780-86-1
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Appearance Solid
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Peso molecular 324.34
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Fòrmula C17H19F3N2O
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Color White to off-white
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SMILES
O=C(NC(C=CC(F)=C1F)=C1F)NC2(C[C@H](C3)C4)C[C@H]4C[C@H]3C2
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Envío
Room temperature in continental US; may vary elsewhere.
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Almacenamiento
Powder -20°C 3 years 4°C 2 years In solvent -80°C 2 years -20°C 1 year
Publications (3)
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Journal Impact Factor
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Most Recent
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Antimicrob Agents Chemother
Protective mechanism of action of the antifungal drug naftifine against Mycobacterium abscessus infection. [Abstract]2026 Feb 4;70(2):e0110525. PMID: 41532771 -
J Biol Chem
A piperidinol-containing molecule is active against Mycobacterium tuberculosis by inhibiting the mycolic acid flippase activity of MmpL3. [Abstract]2019 Nov 15;294(46):17512-17523. PMID: 31562241 -
ACS Infect Dis
Active Benzimidazole Derivatives Targeting the MmpL3 Transporter in Mycobacterium abscessus. [Abstract]2020 Feb 14;6(2):324-337. PMID: 31860799
Solvente y solubilidad
DMSO : 25 mg/mL (77.08 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 2 years; -20°C, 1 year. When stored at -80°C, please use it within 2 years. When stored at -20°C, please use it within 1 year.
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 2 years; -20°C, 1 year. When stored at -80°C, please use it within 2 years. When stored at -20°C, please use it within 1 year.
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
Select the appropriate dissolution method based on your experimental animal and administration route.
- For the following dissolution methods, please ensure to first prepare a clear stock solution using an In Vitro approach and then sequentially add co-solvents:
- To ensure reliable experimental results, the clarified stock solution can be appropriately stored based on storage conditions. As for the working solution for In Vivo experiments, it is recommended to prepare freshly and use it on the same day.
- The percentages shown for the solvents indicate their volumetric ratio in the final prepared solution. If precipitation or phase separation occurs during preparation, heat and/or sonication can be used to aid dissolution.
Add each solvent one by one: 10% DMSO 90% (20% SBE-β-CD in Saline)
Solubility: ≥ 2.5 mg/mL (7.71 mM); Clear solution
This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 900 μL 20% SBE-β-CD in Saline, and mix evenly.
Preparation of 20% SBE-β-CD in Saline (4°C, storage for one week): 2 g SBE-β-CD powder is dissolved in 10 mL Saline, completely dissolve until clear.
Please enter the basic information of animal experiments:
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Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.
Please enter your animal formula composition:
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%DMSO +
Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.
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%+
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+%Tween-80 + +
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%Saline +
The co-solvents required include: DMSO, . All of co-solvents are available by MedChemExpress (MCE). , Tween 80. All of co-solvents are available by MedChemExpress (MCE).
Working solution concentration: 0.22 mg/mL
Method for preparing stock solution: mg drug dissolved in μL DMSO. Stock solution concentration: mg/mL.
1. Take μL DMSO stock solution;
2. Add μL .
μL , mix evenly;
3. Then add μL Tween 80, mix evenly;
4. Then add μL
Please ensure that the stock solution in the first step is dissolved to a clear state, and add co-solvents in sequence. You can use ultrasonic heating (ultrasonic cleaner, recommended frequency 20-40 kHz), vortexing, etc. to assist dissolution.
Pureza y Documentación
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Ficha de datos (276 KB)
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SDS (251 KB)
- English - EN (251 KB)
- Français - FR (251 KB)
- Deutsch - DE (251 KB)
- Norwegian - NO (251 KB)
- Español - ES (251 KB)
- Swedish - SV (251 KB)
- Italian - IT (251 KB)
- Korean - KR (251 KB)
- Portuguese - PT (251 KB)
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Instrucciones de manejo (2659 KB)
Referencias
[1]. McNeil MB, et al. Multiple Mutations in Mycobacterium tuberculosis MmpL3 Increase Resistance to MmpL3 Inhibitors. mSphere. 2020;5(5):e00985-20. Published 2020 Oct 14. [Content Brief]
[2]. Grzegorzewicz AE, et al. Inhibition of mycolic acid transport across the Mycobacterium tuberculosis plasma membrane. Nat Chem Biol. 2012;8(4):334-341. Published 2012 Feb 19. [Content Brief]
Complete Stock Solution Preparation Table
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 2 years; -20°C, 1 year. When stored at -80°C, please use it within 2 years. When stored at -20°C, please use it within 1 year.
| Optional Solvent | Concentration Solvent Mass | 1 mg | 5 mg | 10 mg | 25 mg |
|---|---|---|---|---|---|
| DMSO | 1 mM | 3.0832 mL | 15.4159 mL | 30.8318 mL | 77.0796 mL |
| 5 mM | 0.6166 mL | 3.0832 mL | 6.1664 mL | 15.4159 mL | |
| 10 mM | 0.3083 mL | 1.5416 mL | 3.0832 mL | 7.7080 mL | |
| 15 mM | 0.2055 mL | 1.0277 mL | 2.0555 mL | 5.1386 mL | |
| 20 mM | 0.1542 mL | 0.7708 mL | 1.5416 mL | 3.8540 mL | |
| 25 mM | 0.1233 mL | 0.6166 mL | 1.2333 mL | 3.0832 mL | |
| 30 mM | 0.1028 mL | 0.5139 mL | 1.0277 mL | 2.5693 mL | |
| 40 mM | 0.0771 mL | 0.3854 mL | 0.7708 mL | 1.9270 mL | |
| 50 mM | 0.0617 mL | 0.3083 mL | 0.6166 mL | 1.5416 mL | |
| 60 mM | 0.0514 mL | 0.2569 mL | 0.5139 mL | 1.2847 mL |
AU1235 Related Classifications
HY-101867 Related Classifications
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