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Key Documents

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Safety Information

SML1534

Sigma-Aldrich

I-BRD9

≥98% (HPLC)

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

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About This Item

Empirical Formula (Hill Notation):
C22H22F3N3O3S2
CAS Number:
1714146-59-4
Molecular Weight:
497.55
MDL number:
MFCD28952791
UNSPSC Code:
51111800
PubChem Substance ID:
329825949
NACRES:
NA.77
Pricing and availability is not currently available.

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

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MXLMC0120MXSMCMC24MXSMTLP48
Milliflex Solid Media Cassette Empty Milliflex Cassettes to be filled with solid media

MXSMC0120

Milliflex Solid Media Cassette

Milliflex® Liquid Media Cassette For bioburden and water analysis with the Milliflex® system

MXLMC0120

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Milliflex® Pre-filled Media Cassettes MacConkey Agar, for lactose-fermenting bacteria, pack of 48 tests, suitable for bioburden testing

MXSMCMC24

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MXSMTLP48

Milliflex® Pre-filled Media Cassettes

sterility

sterile

sterility

sterile

sterility

-

sterility

-

application(s)

bioburden testing
cosmetics
microbiology
pharmaceutical
water monitoring

application(s)

bioburden testing
cosmetics
microbiology
pharmaceutical
water monitoring

application(s)

bioburden testing, cosmetics
pharmaceutical
water monitoring

application(s)

bioburden testing, cosmetics
microbiology
pharmaceutical
water monitoring

storage temp.

2-8°C

storage temp.

-

storage temp.

2-8°C

storage temp.

2-8°C

shipped in

ambient

shipped in

ambient

shipped in

ambient

shipped in

ambient

manufacturer/tradename

Milliflex®

manufacturer/tradename

Milliflex®

manufacturer/tradename

Milliflex®

manufacturer/tradename

Milliflex®

General description

I-BRD9 is developed from thienopyridone scaffold.[1] It can also be used as an identifier for BRD9 regulated gene in Kasumi-1 cells involved in oncology and immune response pathways.[2]

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
I-BRD9 is a selective cellular chemical probe for bromodomain-containing protein 9 (BRD9).

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

Storage Class Code

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Regulatory Information

新产品

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Certificates of Analysis (COA)

Lot/Batch Number
0000185169
0000171479
0000185169
0000171479
0000082243

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Find documentation for the products that you have recently purchased in the Document Library.

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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

Articles

Discover Bioactive Small Molecules for Gene Regulation

We offer a variety of small molecule research tools, such as transcription factor modulators, inhibitors of chromatin modifying enzymes, and agonists/antagonists for target identification and validation in gene regulation research; a selection of these research tools is shown below.

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

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