| Size | Price | Stock | Qty |
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| 5mg |
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| 25mg |
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| Other Sizes |
Purity: ≥98%
| Targets |
I-BRD9 targets the bromodomain of BRD9 (bromodomain-containing protein 9), a member of the bromodomain family that recognizes acetylated lysine residues on histones. By binding to the BRD9 bromodomain with high affinity (Kd ~1.9 nM), I-BRD9 blocks BRD9 binding to acetylated histones, thereby regulating gene transcription and chromatin remodeling. This inhibition affects cell proliferation and differentiation. It has a pIC50 of 7.3 and a pKd of 8.7.
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| ln Vitro |
I-BRD9 (10 μM, 6 hours) regulates immunological pathways and cancer [1]. I-BRD9 (10 μM) exhibits exceptional wider bromodomain selectivity together with robust BRD9 affinity [1]. I-BRD9 (10 μM) exhibits affinity with pIC50 values of 7.3 μM, 5.3 μM, and 6.8 μM for BRD9 (TR-FRET), BRD4 BD1 (TR-FRET), and BRD9 NanoBRET [1]. The high water solubility (CLND) of 359 μM is exhibited by I-BRD9 (10 μM)[1]. In HUT-78 cell lysates, I-BRD9 (10 μM) exhibits >625-fold selectivity for binding to endogenous BRD9 (versus BET family member BRD3) [1].
I-BRD9 is a potent and selective BRD9 inhibitor with a pIC50 of 7.3. It has a Kd of approximately 1.9 nM. It exhibits >700-fold selectivity over the BET family and 200-fold over BRD7. It downregulates CLEC1. Its activity has been confirmed in various in vitro assays. It is a cell-permeable compound that can inhibit BRD9 in cellular models. |
| ln Vivo |
I-BRD9 has been shown to downregulate CLEC1. Its ability to inhibit BRD9 and modulate gene transcription suggests potential therapeutic applications in cancers where BRD9 plays a role. However, detailed in vivo efficacy data in animal models is limited. The compound is primarily used as a research tool to study the role of BRD9 in epigenetic regulation and cancer biology.
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| Enzyme Assay |
The primary in vitro assay for I-BRD9 is a time-resolved FRET (TR-FRET) assay that measures its binding to the BRD9 bromodomain. The compound's ability to displace a labeled probe from the BRD9 bromodomain is measured, and the pIC50 of 7.3 is determined from dose-response curves. Its selectivity over other bromodomains is assessed in similar assays.
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| Cell Assay |
RT-PCR[1]
Cell Types: Kasumi-1 Cell Tested Concentrations: 10 μM Incubation Duration: 6 hrs (hours) Experimental Results: demonstrated that 4 genes (CLEC1, 62 DUSP6, 63 FES64 and SAMSN165) were strongly down-regulated and not affected by I-BET151. In vitro cellular experiments for I-BRD9 involve treating cells with the compound and measuring its effects on BRD9 target gene expression and cell proliferation. The downregulation of BRD9 target genes, such as CLEC1, is measured by qPCR. The effects on cell proliferation and viability are assessed using standard assays such as MTT or CellTiter-Glo. Its effects on chromatin remodeling can be assessed by ChIP-seq or ATAC-seq. |
| Animal Protocol |
In vivo animal experiments for I-BRD9 are not extensively detailed in the available literature. As a BRD9 inhibitor, it could be evaluated in animal models of cancer, particularly those driven by BRD9-dependent gene expression. Its effects on tumor growth and survival would be assessed. Its pharmacokinetic properties and safety profile would also be evaluated.
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| ADME/Pharmacokinetics |
I-BRD9 has a molecular weight of 417.45 g/mol and a molecular formula of C22H20FN5O2S. It is a cell-permeable compound. It is soluble in DMSO. It is typically used as a research reagent and is stored as a powder at -20°C for long-term stability. Its purity is typically ≥98%. It is also known as GSK602.
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| Toxicity/Toxicokinetics |
I-BRD9 is a research compound that is not intended for human use. Its toxicological profile is not extensively characterized in the available literature. As with all research chemicals, standard safety precautions should be followed when handling. Its safety would need to be established for therapeutic applications.
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| References | |
| Additional Infomation |
I-BRD9 (GSK602) is a potent, selective, and cell-permeable inhibitor of BRD9 with a pIC50 of 7.3 and a Kd of ~1.9 nM. It exhibits >700-fold selectivity over the BET family and 200-fold over BRD7. I-BRD9 blocks BRD9 binding to acetylated histones, regulating gene transcription and chromatin remodeling. It is used in epigenetic research to study the role of BRD9.
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| Molecular Formula |
C22H22F3N3O3S2
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|---|---|
| Molecular Weight |
497.5512
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| Exact Mass |
497.105
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| CAS # |
1714146-59-4
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| Related CAS # |
1714146-59-4;
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| PubChem CID |
91668541
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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 |
721.0±70.0 °C at 760 mmHg
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| Flash Point |
389.9±35.7 °C
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| Vapour Pressure |
0.0±2.3 mmHg at 25°C
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| Index of Refraction |
1.655
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| LogP |
2.18
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
8
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
33
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| Complexity |
915
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
YQYSVMKCMIUCHY-WJOKGBTCSA-N
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| InChi Code |
InChI=1S/C37H48N4O4S/c1-26-9-10-30-23-33(46-32(30)21-26)35(43)40-37(15-5-6-16-37)36(44)39-31(22-27-7-3-2-4-8-27)34(42)38-24-28-11-17-41(18-12-28)25-29-13-19-45-20-14-29/h2-4,7-10,21,23,28-29,31H,5-6,11-20,22,24-25H2,1H3,(H,38,42)(H,39,44)(H,40,43)/t31-/m1/s1
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| Chemical Name |
5-ethyl-4,5-dihydro-4-oxo-N-(tetrahydro-1,1-dioxido-2H-thiopyran-4-yl)-7-[3-(trifluoromethyl)phenyl]-thieno[3,2-c]pyridine-2-carboximidamide
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| Synonyms |
I-BRD9 I-BRD-9 I-BRD 9
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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 : ~13.89 mg/mL (~27.92 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1.39 mg/mL (2.79 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 13.9 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: ≥ 1.39 mg/mL (2.79 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 13.9 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: ≥ 1.39 mg/mL (2.79 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 | 2.0098 mL | 10.0492 mL | 20.0985 mL | |
| 5 mM | 0.4020 mL | 2.0098 mL | 4.0197 mL | |
| 10 mM | 0.2010 mL | 1.0049 mL | 2.0098 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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