Products for Research Use Only

HET0016

CAT: 1410-M32958-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:1410-M32958-02Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
HET0016 is a potent and selective 20-HETE synthase inhibitor (IC50s: 17.7 nM, 12.1 nM, and 20.6 nM for recombinant CYP4A1-, CYP4A2-, and CYP4A3-catalyzed 20-HETE synthesis) and a selective CYP450 inhibitor, shown to inhibit angiogenesis and tumor growth.
CAS Number
339068-25-6
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
206.28
Molecular Formula
C12H18N2O
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

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

HET0016 is a member of toluenes.

CAS Number339068-25-6
PubChem CID2727594
IUPAC NameN'-(4-butyl-2-methylphenyl)-N-hydroxymethanimidamide
Molecular FormulaC12H18N2O
Molecular Weight206.28
XLogP3.1
Topological Polar Surface Area44.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count15
Formal Charge0
Complexity194
SMILES
CCCCC1=CC(=C(C=C1)N=CNO)C
InChI
InChI=1S/C12H18N2O/c1-3-4-5-11-6-7-12(10(2)8-11)13-9-14-15/h6-9,15H,3-5H2,1-2H3,(H,13,14)
InChIKey
LYNOGBKNFIHKLE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-Hydroxy-N'-(4-butyl-2-methylphenyl)formamidine
CAS: 339068-25-6
CID: 2727594
Formula: C12H18N2O
MW: 206.28
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight206.28
XLogP33.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass206.141913202
Monoisotopic Mass206.141913202
Topological Polar Surface Area44.6 Ų
Heavy Atom Count15
Formal Charge0
Complexity194
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