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SML1534

Sigma-Aldrich

I-BRD9

≥98% (HPLC)

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Synonym(s):
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
Empirical Formula (Hill Notation):
C22H22F3N3O3S2
CAS Number:
1714146-59-4
Molecular Weight:
497.55
MDL number:
MFCD28952791
UNSPSC Code:
12352200
PubChem Substance ID:
329825949
NACRES:
NA.77

Quality Level

100

Assay

≥98% (HPLC)

form

powder

color

white to beige

solubility

DMSO: 20 mg/mL, clear

storage temp.

−20°C

SMILES string

CCN1C(C2=C(SC(C(NC3CCS(CC3)(=O)=O)=N)=C2)C(C4=CC(C(F)(F)F)=CC=C4)=C1)=O

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)

InChI key

WRUWGLUCNBMGPS-UHFFFAOYSA-N

Related Categories

General description

I-BRD9 is developed from thienopyridone scaffold. It can also be used as an identifier for BRD9 regulated gene in Kasumi-1 cells involved in oncology and immune response pathways.

Biochem/physiol Actions

I-BRD9 is a selective cellular chemical probe for bromodomain-containing protein 9 (BRD9), thought to be a member of the chromatin remodelling SWI/SNF BAF complex, which plays a fundamental role in gene expression regulation. I-BRD9 has a pIC50 value of 7.3 with greater than 700-fold selectivity over the BET family and 200-fold over the highly homologous bromodomain-containing protein 7 (BRD7) and greater than 70-fold selectivity against a panel of 34 bromodomains. For full characterization details, please visit the I-BRD9 probe summary on the Structural Genomics Consortium (SGC) website.

To learn about other SGC chemical probes for epigenetic targets, visit sigma.com/sgc

Features and Benefits

I-BRD9 is an epigenetic chemical probe available through a partnership with the Structural Genomics Consortium (SGC). To learn more and view other SGC epigenetic probes, visit sigma.com/SGC.
This compound is a featured product for Gene Regulation research. Click here to discover more featured Gene Regulation products. Learn more about bioactive small molecules for other areas of research at sigma.com/discover-bsm.

Other Notes

I-BRD9 has been expertly reviewed and recommended by the Chemical Probes Portal. For more information, please visit the I-BRD9 probe summary on the Chemical Probes Portal website.

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Pictograms

Skull and crossbones
GHS06

Signal Word

Danger

Hazard Statements

H301

Hazard Classifications

Acute Tox. 3 Oral

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Regulatory Information

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Structure-based design of an in vivo active selective BRD9 inhibitor.
Martin L J, et al.
Journal of Medicinal Chemistry, 59(10), 4462-4475 (2016)
Natalie H Theodoulou et al.
Journal of medicinal chemistry, 59(4), 1425-1439 (2015-04-10)
Acetylation of histone lysine residues is one of the most well-studied post-translational modifications of chromatin, selectively recognized by bromodomain "reader" modules. Inhibitors of the bromodomain and extra terminal domain (BET) family of bromodomains have shown profound anticancer and anti-inflammatory properties

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