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L002

CAT: 0931-T11807-03Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T11807-03Size:1 mL - 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
321695-57-2
Target
STAT, Epigenetic Reader Domain, Histone Acetyltransferase
Related Pathways
JAK/STAT signaling, Stem Cells, Chromatin/Epigenetic
Purity
0.9859
Bioactivity
L002, a potent, cell-permeable, reversible, and specific acetyltransferase p300 (KAT3B) inhibitor with an IC50 of 1.98 μM, directly binds the acetyl-CoA pocket and competitively inhibits the FATp300 catalytic domain. By blocking histone acetylation, p53 acetylation, and STAT3 activation, L002 shows potential in the treatment of hypertension‐induced cardiac hypertrophy and fibrogenesis.
Smiles
COc1ccc(cc1)S(=O)(=O)ON=C1C=C(C)C(=O)C(C)=C1
Molecular Formula
C15H15NO5S
Molecular Weight
321.35
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

[(3,5-Dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] 4-methoxybenzenesulfonate
CAS Number321695-57-2
PubChem CID2221149
IUPAC Name[(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] 4-methoxybenzenesulfonate
Molecular FormulaC15H15NO5S
Molecular Weight321.3
XLogP2.5
Topological Polar Surface Area90.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count22
Formal Charge0
Complexity607
SMILES
CC1=CC(=NOS(=O)(=O)C2=CC=C(C=C2)OC)C=C(C1=O)C
InChI
InChI=1S/C15H15NO5S/c1-10-8-12(9-11(2)15(10)17)16-21-22(18,19)14-6-4-13(20-3)5-7-14/h4-9H,1-3H3
InChIKey
VEWFTYOFWIXCIO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of [(3,5-Dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] 4-methoxybenzenesulfonate
CAS: 321695-57-2
CID: 2221149
Formula: C15H15NO5S
MW: 321.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight321.3
XLogP32.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass321.06709375
Monoisotopic Mass321.06709375
Topological Polar Surface Area90.4 Ų
Heavy Atom Count22
Formal Charge0
Complexity607
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