N-hydroxy-N'-(4-butyl-2-methylphenyl)formamidine

Base Information

• Chemical Name: N-hydroxy-N'-(4-butyl-2-methylphenyl)formamidine
• CAS No.: 339068-25-6
• Molecular Formula: C12H18 N2 O
• Molecular Weight: 206.2841
• DSSTox Substance ID: DTXSID20369449
• Nikkaji Number: J1.541.108B
• Wikidata: Q82156528
• Pharos Ligand ID: 6N9GWKQ8Y16Q
• ChEMBL ID: CHEMBL267865
• Mol file: 339068-25-6.mol

Synonyms:HET 0016;HET0016;N-hydroxy-N'-(4-butyl-2-methylphenyl)formamidine;N-hydroxy-N-4-butyl-2-methylphenylformamidine

Chemical Property of N-hydroxy-N'-(4-butyl-2-methylphenyl)formamidine

Chemical Property:

• Melting Point: 138-140°C
• Boiling Point: 356.9oC at 760 mmHg
• Flash Point: 169.7oC
• PSA: 44.62000
• Density: 1.02g/cm3
• LogP: 3.24000
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Solubility.: Chloroform (Slightly), Ethanol (Slightly)
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 206.141913202
• Heavy Atom Count: 15
• Complexity: 194

Purity/Quality:

≥98% ^*data from raw suppliers

N-Hydroxy-N’-(4-butyl-2-methylphenyl)formamidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC1=CC(=C(C=C1)N=CNO)C
• Description: 20-HETE is a major biologically active cytochrome P450 (CYP450) metabolite of arachidonic acid in the kidney and liver. It regulates renal vascular and tubular functions as well as vascular tone in the cerebral circulation. HET0016 is an inhibitor of 20-HETE formation in human renal microsomes with an IC50 of 8.9 nM, selectively inhibiting CYP4A and 4F isoforms. HET0016 inhibits CYP2C9, CYP2D6, and CYP3A4, enzymes important in drug metabolism, significantly less effectively with IC50s in the μM range. The IC50 values for inhibition of cyclooxygenase and epoxyeicosatrienoic acids (EETs) formation are 2.3 and 2.8 μM, respectively.
• Uses: HET-0016 is a potent and selective inhibitor of the biosynthesis of 20-HETE acting via inhibition of CYP4A (IC50=8.9nM (human), 35nM (rat renal microsome). IC50 cyclooxygenase=2.3uM. IC50 for other CYP: CYP2C9-3.3uM, CYP2D6=83.9 uM, CYP3A4=71uM 20-HETE is a major biologically active cytochrome P450 (CYP450) metabolite of arachidonic acid in the kidney and liver. It regulates renal vascular and tubular functions as well as vascular tone in the cerebral circulation. HET0016 is an inhibitor of 20-HETE formation in human renal microsomes with an IC50 of 8.9 nM, selectively inhibiting CYP4A and 4F isoforms. HET0016 inhibits CYP2C9, CYP2D6, and CYP3A4, enzymes important in drug metabolism, significantly less effectively with IC50s in the μM range. The IC50 values for inhibition of cyclooxygenase and epoxyeicosatrienoic acids (EETs) formation are 2.3 and 2.8 μM, respectively.[Cayman Chemical] HET-0016 is a potent and selective inhibitor of the biosynthesis of 20-HETE acting via inhibition of CYP4A (IC50=8.9nM (human), 35nM (rat renal microsome). IC50 cyclooxygenase=2.3uM. IC50 for other CYP’s: CYP2C9-3.3uM, CYP2D6=83.9 uM, CYP3A4=71uM. It inhibits cerebrovascular constriction induced by Ca2+ or archidonate and inhibits angiogenesis and endothelial cell sprouting in various models. Displays protective effect on brain damage after temporary focal ischemia (at 10mg/Kg).