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GSK1324726A

CAT: 0804-HY-13960-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-13960-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
GSK1324726A is a novel, potent, and selective inhibitor of BET proteins with high affinity to BRD2 (IC50=41 nM), BRD3 (IC50=31 nM), and BRD4 (IC50=22 nM) .
CAS Number
1300031-52-0
Product Name Alternative
I-BET726
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Apoptosis; Epigenetic Reader Domain
Type
Reference compound
Related Pathways
Apoptosis; Epigenetics
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/GSK1324726A.html
Purity
99.92
Solubility
DMSO : ≥ 46 mg/mL
Smiles
ClC1=CC=C(N[C@H]2C3=C(C=CC(C4=CC=C(C(O)=O)C=C4)=C3)N(C(C)=O)[C@@H](C)C2)C=C1
Molecular Formula
C25H23ClN2O3
Molecular Weight
434.91
Precautions
H302, H315, H319, H335
References & Citations
[1]Wyce A, et al. BET inhibition silences expression of MYCN and BCL2 and induces cytotoxicity in neuroblastoma tumor models. PLoS One. 2013 Aug 23;8 (8) :e72967.|[2]Gosmini R, et al. The discovery of I-BET726 (GSK1324726A), a potent tetrahydroquinoline ApoA1 up-regulator and selective BET bromodomain inhibitor. J Med Chem. 2014 Oct 9;57 (19) :8111-31.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

4-[(2s,4r)-1-Acetyl-4-[(4-Chlorophenyl)amino]-2-Methyl-1,2,3,4-Tetrahydroquinolin-6-Yl]benzoic Acid
CAS Number1300031-52-0
PubChem CID52912222
IUPAC Name4-[(2S,4R)-1-acetyl-4-(4-chloroanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]benzoic acid
Molecular FormulaC25H23ClN2O3
Molecular Weight434.9
XLogP5.1
Topological Polar Surface Area69.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count31
Formal Charge0
Complexity643
SMILES
C[C@H]1C[C@H](C2=C(N1C(=O)C)C=CC(=C2)C3=CC=C(C=C3)C(=O)O)NC4=CC=C(C=C4)Cl
InChI
InChI=1S/C25H23ClN2O3/c1-15-13-23(27-21-10-8-20(26)9-11-21)22-14-19(7-12-24(22)28(15)16(2)29)17-3-5-18(6-4-17)25(30)31/h3-12,14-15,23,27H,13H2,1-2H3,(H,30,31)/t15-,23+/m0/s1
InChIKey
FAWSUKOIROHXAP-NPMXOYFQSA-N
Chemical Structure
2D Structure
2D structure of 4-[(2s,4r)-1-Acetyl-4-[(4-Chlorophenyl)amino]-2-Methyl-1,2,3,4-Tetrahydroquinolin-6-Yl]benzoic Acid
CAS: 1300031-52-0
CID: 52912222
Formula: C25H23ClN2O3
MW: 434.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight434.9
XLogP35.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass434.1397203
Monoisotopic Mass434.1397203
Topological Polar Surface Area69.6 Ų
Heavy Atom Count31
Formal Charge0
Complexity643
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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