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Purity: ≥98%
BTB06584 (BTB-06584; BTB 06584) is a novel, potent and IF1-dependent inhibitor of the mitochondrial F1 Fo-ATPase, acting by selectively inhibiting mitochondrial F1 Fo-ATPase activity without compromising ATP synthesis and to limit ischaemia-induced injury caused by reversal of the mitochondrial F1 Fo-ATPsynthase.
| ln Vitro |
BTB06584 (100 μM) has no effect on O2 consumption or the mitochondrial membrane potential (ΔΨm) but suppresses F1Fo-ATPase activity in HL-1 cells. Before an ischemia phase, HL-1 cells are protected from ischemic cell death by BTB06584 (100 μM) pretreatment. After suppression of respiration, there is a decrease in ATP consumption and ischemia cell death[1]. Overexpressing IF1 increases BTB06584 efficiency, but protein silencing decreases it[1].
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| ln Vivo |
Zebrafish pinotage (pnt) mutants, which lack Atpif1a gene expression, showed improved hemoglobin production after receiving BTB06584 (1 μM) therapy for 24 hours. In living fish, the doses of BTB06584 that restore hemoglobin biosynthesis also change the bioenergetics of the mitochondria[1].
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| References |
| Molecular Formula |
C19H12CLNO6S
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| Molecular Weight |
417.82
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| Exact Mass |
417.007
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| Elemental Analysis |
C, 54.62; H, 2.90; Cl, 8.48; N, 3.35; O, 22.98; S, 7.67
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| CAS # |
219793-45-0
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| Related CAS # |
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| PubChem CID |
2799764
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| Appearance |
White to off-white solid powder
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| Density |
1.5±0.1 g/cm3
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| Boiling Point |
664.8±55.0 °C at 760 mmHg
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| Flash Point |
355.9±31.5 °C
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| Vapour Pressure |
0.0±2.0 mmHg at 25°C
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| Index of Refraction |
1.637
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| LogP |
5.23
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
28
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| Complexity |
659
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| Defined Atom Stereocenter Count |
0
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| SMILES |
ClC1=CC=C(C(OC2=C([N+]([O-])=O)C=CC(S(C3=CC=CC=C3)(=O)=O)=C2)=O)C=C1
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| InChi Key |
WNDWKKPBLAKXMI-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C19H12ClNO6S/c20-14-8-6-13(7-9-14)19(22)27-18-12-16(10-11-17(18)21(23)24)28(25,26)15-4-2-1-3-5-15/h1-12H
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| Chemical Name |
2-nitro-5-(phenylsulfonyl)phenyl 4-chlorobenzoate
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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 (5.98 mM) (saturation unknown) in 10% DMSO + 40% PEG300 +5% Tween-80 + 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.3934 mL | 11.9669 mL | 23.9338 mL | |
| 5 mM | 0.4787 mL | 2.3934 mL | 4.7868 mL | |
| 10 mM | 0.2393 mL | 1.1967 mL | 2.3934 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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