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I-BRD9

CAT: 0013-GTR19163516-07Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19163516-07Size:25 mg
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Description
The first selective cellular chemical probe for BRD9 with pIC50 of 7.3; displays 700-fold selectivity over the BET family and 200-fold over the highly homologous BRD7; decreases cell proliferation, G1-arrest and apoptosis in rhabdoid tumor cells; shows synergistic inhibitory effects on cell proliferation combined with doxorubicin or carboplatin.
CAS Number
1714146-59-4
Product Name Alternative
I-BRD9 | I-BRD-9 | I-BRD 9
Field of Research
Epigenetics & Chromatin
Purity
>98% (HPLC)
Solubility
DMSO: 15.5 mg/mL
Smiles
N=C (C (S1) =CC2=C1C (C3=CC=CC (C (F) (F) F) =C3) =CN (CC) C2=O) NC (CC4) CCS4 (=O) =O
Molecular Formula
C22H22F3N3O3S2
Molecular Weight
497.5536
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
Thieno[3,2-c]pyridine-2-carboximidamide, 5-ethyl-4,5-dihydro-4-oxo-N- (tetrahydro-1,1-dioxido-2H-thiopyran-4-yl) -7-[3- (trifluoromethyl) phenyl]-

Chemical Information

I-Brd9
CAS Number1714146-59-4
PubChem CID91668541
IUPAC NameN'-(1,1-dioxothian-4-yl)-5-ethyl-4-oxo-7-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-carboximidamide
Molecular FormulaC22H22F3N3O3S2
Molecular Weight497.6
XLogP2.9
Topological Polar Surface Area129
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count33
Formal Charge0
Complexity915
SMILES
CCN1C=C(C2=C(C1=O)C=C(S2)C(=NC3CCS(=O)(=O)CC3)N)C4=CC(=CC=C4)C(F)(F)F
InChI
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)
InChIKey
WRUWGLUCNBMGPS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of I-Brd9
CAS: 1714146-59-4
CID: 91668541
Formula: C22H22F3N3O3S2
MW: 497.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight497.6
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass497.10546841
Monoisotopic Mass497.10546841
Topological Polar Surface Area129 Ų
Heavy Atom Count33
Formal Charge0
Complexity915
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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