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| 5mg |
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Purity: ≥98%
BRD73954 (BRD-73954) is a novel, potent and dual inhibitor of histone deacetylase 6 (HDAC6) and HDAC8 with potential anticancer activity. Its IC50 values for HDAC6 and HDAC8 inhibition are 36 and 120 nM, respectively.
| Targets |
HDAC6 ( IC50 = 0.036 μM ); HDAC8 ( IC50 = 0.12 μM ); HDAC2 ( IC50 = 9 μM )
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| ln Vitro |
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| ln Vivo |
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| Enzyme Assay |
RD73954 ia a novel inhibitor of HDAC with IC50 of 36 nM and 120 nM for HDAC6 and HDAC8, respectively.
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| Cell Assay |
The first small molecule inhibitor of histone deacetylase (HDAC), BRD73954 can potently and selectively inhibit both HDAC6 and HDAC8, even though these isoforms are related to different phylogenetic classes of the HDAC family of enzymes. Our findings reveal that phenyl hydroxamic acid meta substituents are easily incorporated into HDAC6 binding sites and are also required for the strong inhibition of HDAC8. When HeLa cells are treated with BRD73954, there is a noticeable rise in the acetylation of α-tubulin, which is a known substrate for HDAC6, but not of histone H3, which is a substrate for HDAC1, 2, and 3.
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| References |
| Molecular Formula |
C16H16N2O3
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| Molecular Weight |
284.31
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| Exact Mass |
284.116
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| Elemental Analysis |
C, 67.59; H, 5.67; N, 9.85; O, 16.88
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| CAS # |
1440209-96-0
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| Related CAS # |
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| PubChem CID |
71680913
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| Appearance |
White to off-white solid powder
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| Density |
1.2±0.1 g/cm3
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| Index of Refraction |
1.613
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| LogP |
1.19
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
21
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| Complexity |
353
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=C(C1C([H])=C([H])C([H])=C(C(N([H])O[H])=O)C=1[H])N([H])C([H])([H])C([H])([H])C1C([H])=C([H])C([H])=C([H])C=1[H]
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| InChi Key |
FIHKWEQJEDRIFS-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C16H16N2O3/c19-15(17-10-9-12-5-2-1-3-6-12)13-7-4-8-14(11-13)16(20)18-21/h1-8,11,21H,9-10H2,(H,17,19)(H,18,20)
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| Chemical Name |
3-N-hydroxy-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide
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| Synonyms |
BRD-73954; BRD73954; BRD 73954
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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 (8.79 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 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. Solubility in Formulation 2: ≥ 2.5 mg/mL (8.79 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 25.0 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: ≥ 2.5 mg/mL (8.79 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.5173 mL | 17.5864 mL | 35.1729 mL | |
| 5 mM | 0.7035 mL | 3.5173 mL | 7.0346 mL | |
| 10 mM | 0.3517 mL | 1.7586 mL | 3.5173 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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