| Identification | Back Directory | [Name]
I-BRD9 | [CAS]
1714146-59-4 | [Synonyms]
I-BRD9
GSK602
CS-2328
I-BRD9;I-BRD-9
I-brd9 GSK602
N-(1,1-Dioxidotetrahydro-2H-thiopyran-4-yl)-5-ethyl-4-oxo-7-(3-(trifluoromethyl)phenyl)-4,5-di
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]- | [Molecular Formula]
C22H22F3N3O3S2 | [MDL Number]
MFCD28952791 | [MOL File]
1714146-59-4.mol | [Molecular Weight]
497.55 |
| Chemical Properties | Back Directory | [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 |
| Hazard Information | Back Directory | [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. |
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| Company Name: |
DKMbiochem.Co. Ltd Gold
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| Tel: |
15901859516 |
| Website: |
http://www.dkmbiochem.com/ |
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