Size | Price | Stock | Qty |
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5mg |
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10mg |
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50mg |
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100mg |
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Other Sizes |
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Targets |
pIC50: 7.3 (BCATm), 6.6 (BCATc)[1]
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ln Vitro |
In differentiated primary human adipocytes, BCAT-IN-2 (Compound 61) inhibits BCATm with a pIC50 of 6.5 [1].
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ln Vivo |
At a dose of 100 mg/kg, BCAT-IN-2 (Compound 61) (10-100 mg/kg; oral) raised leucine levels in mice from 473 μM to 1.2 mM [1]. BCAT-IN-2 has a long half-life (t1/2=9.2 h), low clearance rate (Cl=0.3 mL/min/kg), and high bioavailability (F=100%) in mice[1]. Its doses are 5 mg/kg for po and 1 mg/kg for iv.
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References |
[1]. Bertrand SM, et, al. The Discovery of in Vivo Active Mitochondrial Branched-Chain Aminotransferase (BCATm) Inhibitors by Hybridizing Fragment and HTS Hits. J Med Chem. 2015 Sep 24;58(18):7140-63.
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Molecular Formula |
C17H14CLF2N5O
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Molecular Weight |
377.78
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CAS # |
1800024-45-6
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Appearance |
Typically exists as solids (or liquids in special cases) at room temperature
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SMILES |
ClC1C=C(C(=C(C=1)F)CNC1=C(C#N)C2=NC(=CC(N2N1)=O)CCC)F
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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: 50 mg/mL (132.35 mM)
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Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (6.62 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 25.0 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 | 2.6470 mL | 13.2352 mL | 26.4704 mL | |
5 mM | 0.5294 mL | 2.6470 mL | 5.2941 mL | |
10 mM | 0.2647 mL | 1.3235 mL | 2.6470 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.