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BRM/BRG1 ATP Inhibitor-1 is an orally bioactive inhibitor of Brahma Homolog (BRM)/SMARCA2 ATPase with anticancer activity and has potential to be used for the treatment of Brahma Related Gene 1 (BRG1)/SMARCA4-Mutant Cancers. It inhibits BRM/BRG1 ATP with an IC50 of 5 nM.
ln Vitro |
BRM/BRG1 ATP Inhibitor-1 (compound 14) has the ability to inhibit locomotor proliferation at concentrations of 0–10 μM over a 5-day period [1]. With an AAC50 (absolute AC50) value of 0.01 μM in H1299 cells and 0.01 μM in RERF-LC-AI cells, BRM/BRG1 ATP Inhibitor-1 suppresses the expression of the KRT80 gene [1].
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ln Vivo |
Tumor growth and KRT80 expression can be inhibited in a dose-dependent manner by BRM/BRG1 ATP Inhibitor-1 (Compound 14) (lateral wall, 7.5 or 20 mg/kg, daily, 3 weeks) [1].
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Cell Assay |
Cell proliferation assay [1]
Cell Types: SKMEL5 melanoma cells and SBC-5 small cell carcinoma Tested Concentrations: 0-10 μM Incubation Duration: 5 days Experimental Results: Inhibition of proliferation of SKMEL5 cells, AAC50 (absolute AC50) value is 0.004 μM, inhibition Proliferation of SBC-5 cells, AAC50 is greater than 10μM. |
Animal Protocol |
Animal/Disease Models: Female athymic nude mice with RERF-LC-AI tumor xenografts [1]
Doses: 7.5 mg/kg, 20 mg/kg Route of Administration: Oral; daily; 3-week Experimental Results: 7.5 mg/kg and 20 mg/kg doses inhibited tumor growth by 21% and 55%, respectively. The inhibition rate of KRT80 expression was as high as 90% 7 hrs (hrs (hours)) after administration of 20 mg/kg. |
References |
[1]. Papillon JPN, et al. Discovery of Orally Active Inhibitors of Brahma Homolog (BRM)/SMARCA2 ATPase Activity for the Treatment of Brahma Related Gene 1 (BRG1)/SMARCA4-Mutant Cancers. J Med Chem. 2018 Nov 21;61(22):10155-10172
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Molecular Formula |
C11H9F3N4O2S
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Molecular Weight |
318.274970769882
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Exact Mass |
318.04
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Elemental Analysis |
C, 41.51; H, 2.85; F, 17.91; N, 17.60; O, 10.05; S, 10.07
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CAS # |
2270879-17-7
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Appearance |
Solid powder
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SMILES |
S1C(=CC(C(F)F)=N1)NC(NC1C=C(N=CC=1CO)F)=O
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Synonyms |
BRM/BRG1 ATP Inhibitor-1; CUN79177; CUN79177; CUN-79177; NVP-RXI570; NVP-RXI-570; NVP-RXI 570;
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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 : ~250 mg/mL (~785.50 mM)
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Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (6.54 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 20.8 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: ≥ 2.08 mg/mL (6.54 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 20.8 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: ≥ 2.08 mg/mL (6.54 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 | 3.1419 mL | 15.7094 mL | 31.4189 mL | |
5 mM | 0.6284 mL | 3.1419 mL | 6.2838 mL | |
10 mM | 0.3142 mL | 1.5709 mL | 3.1419 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.