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JG-2016

CAT: 1568-C15120-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1568-C15120-03Size:100 mg
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CAS Number
2887480-87-5
SKU
C15120-5mg
Target
Histone Acetyltransferase
Applications
Epigenetics
Molecular Formula
C18H21ClN4O3
Additionnal Information
JG-2016 is a potent and selective inhibitor of HAT1, with an IC50 of 14.8 μM and a binding KD of 22.5 μM for the HAT1:Rbap46 complex. It exhibits anti-proliferative activity with EC50 of 10.4 μM, 29.8 μM, and 1.9 μM in HCC1806, FICC1937, and A549 cells, respectively. JG-2016 significantly suppresses tumor growth in an A549 xenograft model.

Chemical Information

7-Chloro-8-ethyl-10-(2-isobutoxyethyl)benzo[g]pteridine-2,4(3H,10H)-dione
CAS Number2887480-87-5
PubChem CID166558326
IUPAC Name7-chloro-8-ethyl-10-[2-(2-methylpropoxy)ethyl]benzo[g]pteridine-2,4-dione
Molecular FormulaC18H21ClN4O3
Molecular Weight376.8
XLogP3
Topological Polar Surface Area83.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count26
Formal Charge0
Complexity634
SMILES
CCC1=CC2=C(C=C1Cl)N=C3C(=O)NC(=O)N=C3N2CCOCC(C)C
InChI
InChI=1S/C18H21ClN4O3/c1-4-11-7-14-13(8-12(11)19)20-15-16(21-18(25)22-17(15)24)23(14)5-6-26-9-10(2)3/h7-8,10H,4-6,9H2,1-3H3,(H,22,24,25)
InChIKey
IOHJEWFKBRNJIO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-Chloro-8-ethyl-10-(2-isobutoxyethyl)benzo[g]pteridine-2,4(3H,10H)-dione
CAS: 2887480-87-5
CID: 166558326
Formula: C18H21ClN4O3
MW: 376.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight376.8
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass376.1302182
Monoisotopic Mass376.1302182
Topological Polar Surface Area83.4 Ų
Heavy Atom Count26
Formal Charge0
Complexity634
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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