I-BRD9
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    WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 407277

CAS#: 1714146-59-4

Description: I-BRD9 is a BRD9 specific inhibitor, identified by scientists at GlaxoSmithKline. I-BRD9 is a potent and selective binder to BRD9 with a pIC50 in a Time-Resolved FRET assay of 7.3. BRD4 was used as a representative member of the BET family for initial selectivity screening, I-BRD9 displayed a pIC50 of 5.3 against this protein. (http://www.thesgc.org/chemical-probes/I-BRD9)


Price and Availability

Size
Price

5mg
USD 280
Size
Price

25mg
USD 750
Size
Price

I-BRD9, purity > 98%, is in stock. Current shipping out time is about 2 weeks after order is received. CoA, QC data and MSDS documents are available in one week after order is received


Chemical Structure

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Theoretical Analysis

MedKoo Cat#: 407277
Name: I-BRD9
CAS#: 1714146-59-4
Chemical Formula: C22H22F3N3O3S2
Exact Mass: 497.1055
Molecular Weight: 497.5512
Elemental Analysis: C, 53.11; H, 4.46; F, 11.46; N, 8.45; O, 9.65; S, 12.89


Synonym: I-BRD9; I-BRD-9; I-BRD 9.

IUPAC/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

InChi Key: YQYSVMKCMIUCHY-WJOKGBTCSA-N

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

SMILES Code: N=C(C(S1)=CC2=C1C(C3=CC=CC(C(F)(F)F)=C3)=CN(CC)C2=O)NC(CC4)CCS4(=O)=O


Technical Data

Appearance:
Solid powder

Purity:
>98% (or refer to the Certificate of Analysis)

Shipping Condition:
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition:
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility:
Soluble in DMSO, not in water

Shelf Life:
>2 years if stored properly

Drug Formulation:
This drug may be formulated in DMSO

Stock Solution Storage:
0 - 4 C for short term (days to weeks), or -20 C for long term (months).

Harmonized System Code:
293490


Additional Information

BRD9 is a bromodomain containing protein that form a small sub-branch of the bromodomain family tree. Human BRD9 contains a single bromodomain and has five isoforms that are produced by alternative splicing. Little is known about BRD9 function but it has been implicated in chromatin remodelling as part of the SWI/SNF complex. (http://www.thesgc.org/chemical-probes/I-BRD9)


References

1: Theodoulou NH, Bamborough P, Bannister AJ, Becher I, Bit RA, Che KH, Chung CW,
Dittmann A, Drewes G, Drewry DH, Gordon L, Grandi P, Leveridge M, Lindon M,
Michon AM, Molnar J, Robson SC, Tomkinson NC, Kouzarides T, Prinjha RK, Humphreys
PG. 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. doi:
10.1021/acs.jmedchem.5b00256. Epub 2015 Apr 30. PubMed PMID: 25856009.