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| 25mg |
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Purity: ≥98%
TBAJ-587, a diarylquinoline analog, is a novel and potent anti-tuberculosis agent which inhibits M.tb strain H37Rv growth with MIC90s of 0.006 and<0.02 µg/mL in MABA and LORA assay, respectively. It demonstrated more potent in vitro and in vivo anti-tubercular activity, with greatly attenuated hERG blockade. It is as potent as bedaquiline against Mycobacterium tuberculosis, but with lower lipophilicity, higher clearance, and lower risk for QT prolongation. TBAJ-587 inhibits hERG channel minimally, attenuates inhibition of the cardiac potassium channel protein coded by the hERG, which is important for cardiac repolarization.
| Targets |
Anti-tuberculosis
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|---|---|
| ln Vitro |
Bedaquiline belongs to the diarylquinoline class of drugs that have demonstrated clinical effectiveness in treating drug-resistant tuberculosis. However, because of its strong inhibition of the cardiac potassium channel protein hERG, bedaquiline has the potential to cause cardiac problems. An analogue of bedaquiline, TBAJ-587, exhibits significantly lessened hERG blockade and more powerful anti-tubercular action. TBAJ-587 has an IC50 of 13 μM for inhibiting the hERG channel[1].
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| References |
| Molecular Formula |
C30H33BRFN3O5
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|---|---|
| Molecular Weight |
614.502530813217
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| Exact Mass |
613.16
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| Elemental Analysis |
C, 58.64; H, 5.41; Br, 13.00; F, 3.09; N, 6.84; O, 13.02
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| CAS # |
2252316-16-6
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| Related CAS # |
2252316-16-6;TBAJ-587 HCl;
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| Appearance |
Solid powder
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| SMILES |
COC1=C(F)C([C@H](C2=CC3=CC(Br)=CC=C3N=C2OC)[C@](O)(C4=CC(OC)=NC(OC)=C4)CCN(C)C)=CC=C1
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| InChi Key |
JJEGOJPMKLRSPJ-POURPWNDSA-N
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| InChi Code |
InChI=1S/C30H33BrFN3O5/c1-35(2)13-12-30(36,19-16-25(38-4)34-26(17-19)39-5)27(21-8-7-9-24(37-3)28(21)32)22-15-18-14-20(31)10-11-23(18)33-29(22)40-6/h7-11,14-17,27,36H,12-13H2,1-6H3/t27-,30-/m1/s1
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| Chemical Name |
(1S,2S)-1-(6-bromo-2-methoxyquinolin-3-yl)-2-(2,6-dimethoxypyridin-4-yl)-4-(dimethylamino)-1-(2-fluoro-3-methoxyphenyl)butan-2-ol
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| Synonyms |
TBAJ-587; TBAJ 587; TBAJ587
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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 : ~43.33 mg/mL (~70.51 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.17 mg/mL (3.53 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 21.7 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: ≥ 2.17 mg/mL (3.53 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 21.7 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: ≥ 2.17 mg/mL (3.53 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. Solubility in Formulation 4: 10% DMSO+40% PEG300+5% Tween-80+45% Saline: ≥ 2.17 mg/mL (3.53 mM) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.6273 mL | 8.1367 mL | 16.2734 mL | |
| 5 mM | 0.3255 mL | 1.6273 mL | 3.2547 mL | |
| 10 mM | 0.1627 mL | 0.8137 mL | 1.6273 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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