[(3,5-Dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] 4-methoxybenzenesulfonate

Base Information

• Chemical Name: [(3,5-Dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] 4-methoxybenzenesulfonate
• CAS No.: 321695-57-2
• Molecular Formula: C15H15NO5S
• Molecular Weight: 321.3
• ChEMBL ID: CHEMBL3775671
• Mol file: 321695-57-2.mol

Synonyms:321695-57-2;L002;NSC764414;[(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] 4-methoxybenzenesulfonate;4-((((4-Methoxyphenyl)sulfonyl)oxy)imino)-2,6-dimethylcyclohexa-2,5-dien-1-one;CHEMBL3775671;4-[O-[(4-Methoxyphenyl)sulfonyl]oxime]-2,6-dimethyl-2,5-cyclohexadiene-1,4-dione;SR-01000239221;L 002;SCHEMBL15299803;WMA69557;BDBM50151658;AKOS002262677;NSC 764414;NSC-764414;(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino 4-methoxybenzene-1-sulfonate;L002(NSC764414);AS-16551;HY-100671;CS-0019911;E98659;MLS-0437249.0001;A899599;J-018664;SR-01000239221-1;SR-01000239221-3;4-(4-methoxyphenylsulfonyloxyimino)-2,6-dimethylcyclohexa-2,5-dienone;[(3,5-dimethyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)amino] 4-methoxybenzenesulfonate

Chemical Property of [(3,5-Dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] 4-methoxybenzenesulfonate

Chemical Property:

• Storage Temp.: 2-8°C
• Solubility.: DMSO: soluble20mg/mL, clear
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 321.06709375
• Heavy Atom Count: 22
• Complexity: 607

Purity/Quality:

97% ^*data from raw suppliers

L002 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=NOS(=O)(=O)C2=CC=C(C=C2)OC)C=C(C1=O)C
• Description: L002 is an inhibitor of p300 histone acetyltransferase (KAT3B; IC50 = 1.98 μM in vitro). It has weaker inhibitory effects against PCAF and GCN5 (IC50s = 35 and 34 μM, respectively) and is specific for p300 over a panel of additional acetyltransferases, deacetylases, and methyltransferases. L002 blocks acetylation of histones and p53 in cells treated with trichostatin A or etoposide, respectively, and reduces STAT3 phosphorylation, which requires p300-mediated acetylation of STAT3. It induces growth arrest and apoptosis in certain cancer cell lines and, when administered intraperitoneally in mice, suppresses the growth of triple-negative breast cancer xenografts.
• Uses: L002 is an inhibitor of p300 histone acetyl transferase, which maintains weaker inhibitory effects against PCAF and GCN5. and is specific for p3000.

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