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)
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
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
| Solvent | Max Conc. mg/mL | Max Conc. mM | |
|---|---|---|---|
| Solubility | |||
| DMSO | 46.91 | 94.28 | |
| DMF | 30.0 | 60.3 | |
| DMF:PBS (pH 7.2) (1:1) | 0.5 | 1.01 |
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.
| 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 |
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.
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)
