I-BRD9
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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)


Chemical Structure

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I-BRD9
CAS# 1714146-59-4

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

Size Price Shipping out time Quantity
5mg USD 80 Same day
10mg USD 150 Same day
25mg USD 250 Same day
50mg USD 450 Same day
100mg USD 750 2 Weeks
200mg USD 1250 Same day
500mg USD 2050 Same day
1g USD 2950 Same day
2g USD 5250 2 weeks
Inquire bulk and customized quantity

Pricing updated 2021-03-05. Prices are subject to change without notice.

I-BRD9, purity > 98%, is in stock. The same day shipping out after order is received.

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

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).

HS Tariff Code:
2934.99.9001

Preparing Stock Solutions

The following data is based on the product molecular weight 497.5512 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Select a batch to recalculate based on the batch molecular weight:
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL

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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.



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)