I-BRD9
- CAS No.
- 1714146-59-4
- Chemical Name:
- I-BRD9
- Synonyms
- I-BRD9;GSK602;CS-2328;I-BRD9;I-BRD-9;I-brd9 GSK602;I-BRD9, 10 mM in DMSO;N-(1,1-Dioxidotetrahydro-2H-thiopyran-4-yl)-5-ethyl-4-oxo-7-(3-(trifluoromethyl)phenyl)-4,5-di;N-(1,1-Dioxidotetrahydro-2H-thiopyran-4-yl)-5-ethyl-4-oxo-7-(3-(trifluoromethyl)phenyl)-4,5-dihydrothieno[3,2-c]pyridine-2-carboximidamide;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;Thieno[3,2-c]pyridine-2-carboximidamide, 5-ethyl-4,5-dihydro-4-oxo-N-(tetrahydro-1,1-dioxido-2H-thiopyran-4-yl)-7-[3-(trifluoromethyl)phenyl]-
- CBNumber:
- CB83122929
- Molecular Formula:
- C22H22F3N3O3S2
- Molecular Weight:
- 497.55
- MDL Number:
- MFCD28952791
- MOL File:
- 1714146-59-4.mol
- MSDS File:
- SDS
- TDS File:
- TDS
| Product description | Number | Pack Size | Price |
| I-BRD9 ≥98% (HPLC) | SML1534 | 5 mg | $195 |
| I-BRD9 ≥98% (HPLC) | SML1534 | 25 mg | $749 |
| I-BRD9 ≥98% | 17749 | 1mg | $81 |
| I-BRD9 ≥98% | 17749 | 5mg | $159 |
| I-BRD9 ≥98% | 17749 | 10mg | $255 |
| More product size | |||
| Boiling point | 683.9±65.0 °C(Predicted) |
|---|---|
| Density | 1.50±0.1 g/cm3(Predicted) |
| storage temp. | Store at -20°C |
| solubility | Soluble in DMSO |
| form | crystalline solid |
| pka | 9.35±0.40(Predicted) |
| color | White to off-white |
| InChI | 1S/C22H22F3N3O3S2/c1-2-28-12-17(13-4-3-5-14(10-13)22(23,24)25)19-16(21(28)29)11-18(32-19)20(26)27-15-6-8-33(30,31)9-7-15/h3-5,10-12,15H,2,6-9H2,1H3,(H2,26,27) |
| InChIKey | WRUWGLUCNBMGPS-UHFFFAOYSA-N |
| SMILES | C1(=O)N(CC)C=C(C2=CC=CC(C(F)(F)F)=C2)C2SC(C(NC3CCS(=O)(=O)CC3)=N)=CC1=2 |
| UNSPSC Code | 51111800 |
| NACRES | NA.77 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Warning | |||||||||
| Hazard statements | H315-H319-H335 | |||||||||
| Precautionary statements | P261-P305+P351+P338 | |||||||||
| WGK Germany | WGK 3 | |||||||||
| Storage Class | 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects |
|||||||||
| Hazard Classifications | Acute Tox. 3 Oral | |||||||||
| NFPA 704 |
|
I-BRD9 price More Price(53)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich | SML1534 | I-BRD9 ≥98% (HPLC) | 1714146-59-4 | 5 mg | $195 | 2026-04-30 | Buy |
| Sigma-Aldrich | SML1534 | I-BRD9 ≥98% (HPLC) | 1714146-59-4 | 25 mg | $749 | 2026-04-30 | Buy |
| Cayman Chemical | 17749 | I-BRD9 ≥98% | 1714146-59-4 | 1mg | $81 | 2026-04-30 | Buy |
| Cayman Chemical | 17749 | I-BRD9 ≥98% | 1714146-59-4 | 5mg | $159 | 2026-04-30 | Buy |
| Cayman Chemical | 17749 | I-BRD9 ≥98% | 1714146-59-4 | 10mg | $255 | 2026-04-30 | Buy |
I-BRD9 Chemical Properties,Uses,Production
Description
I-BRD9 is a selective cellular chemical probe for bromodomain-containing protein 9 (BRD9). I-BRD9 has a pIC50 value of 7.3 for BRD9 inhibitor, with greater than 700-fold selectivity over the BET family and 200-fold over the highly homologous bromodomain-containing protein 7 (BRD7). I-BRD9 is also shows a greater than 70-fold selectivity against a panel of 34 bromodomains. I-BRD9 downregulates CLEC1, DUSP6, FES and SAMSN1 genes in Kasumi-1 cells.
Uses
I-BRD9 is a bromodomain-containing protein 9 (BRD9) inhibitor which belong to class of (BET) inhibitors that have shown potent anti-inflammatory and anticancer properties.
Biological Activity
pic50: 7.3i-brd9 is a brd9 inhibitor.brd9 is identified as a bromodomain containing protein forming a small sub-branch of the bromodomain family tree. human brd9 has a single bromodomain and contains five isoforms which are produced by alternative splicing.
in vitro
in previous study, the i-brd9 development was driven by iterative medicinal chemistry, using structure based design to result in nanomolar potency at brd9, over 700-fold selectivity against the bet family as well as more than 70-fold to a panel of 34 bromodomains. in kasumi-1 cells, i-brd9 could downregulate dusp6, clec1, samsn1 and fes genes. moreover, i-brd9 was used to expore genes regulated by brd9 in kasumi-1 cells involved in immune response and oncology pathways. in addition, when brd4 was used as a representative member of the bet family for initial selectivity screening, i-brd9 was found to have a pic50 of 5.3 against this protein. i-brd9 thus represented the first available selective tool compound to investigate the cellular phenotype of the inhibition of brd9 bromodomain [1].
storage
Store at -20°C
References
[1] theodoulou nh et al. discovery of i-brd9, a selective cell active chemical probe for bromodomain containing protein 9 inhibition. j med chem. 2016 feb 25;59(4):1425-39.
I-BRD9 Preparation Products And Raw materials
Raw materials
Preparation Products
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| ATK CHEMICAL COMPANY LIMITED | +undefined-21-51877795 | ivan@atkchemical.com | China | 33024 | 60 |
| TargetMol Chemicals Inc. | +1-781-999-5354; +17819995354 | marketing@targetmol.com | United States | 32466 | 58 |
| HANGZHOU CLAP TECHNOLOGY CO.,LTD | 86-571-88216897,88216896 13588875226 | sales@hzclap.com | CHINA | 6312 | 58 |
| InvivoChem | +1-708-310-1919 +1-13798911105 | sales@invivochem.cn | United States | 6391 | 58 |
| TargetMol Chemicals Inc. | +1-781-999-5354; | support@targetmol.com | United States | 39037 | 58 |
| ShenZhen Trendseen Biological Technology Co.,Ltd. | 13417589054 | trendseenbio@gmail.com | China | 11680 | 58 |
| Wuhan Topule Biopharmaceutical Co., Ltd | +8618327326525 | masar@topule.com | China | 8467 | 58 |
| Jilin Chinese Academy of Sciences-yanshen Technology | +undefined18143011203 | info@chemextension.com | China | 42056 | 58 |
| Aladdin Scientific | tp@aladdinsci.com | United States | 57505 | 58 | |
| NANJING YINGWEN BIOTECHNOLOGY CO LTD | +8613382787392 | sales@aeechem.com | China | 10002 | 58 |
