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S-NEPC

CAT: 0931-T36074-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T36074-01Size:1 mg
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CAS Number
147349-28-8
Target
Epoxide Hydrolase, Others
Related Pathways
Others, Metabolism
Bioactivity
Cytochrome P450 metabolites of arachidonic acid, such as 11 (12) -EpETrE and 14 (15) -EpETrE have been identified as endothelium derived hyperpolarizing factors with vasodilator activity. Soluble epoxide hydrolase (sEH) catalyzes the conversion of EpETrEs to the corresponding DiHETrEs thereby diminishing their activity. Inhibitors of sEH may therefore have clinical utility for treating hypertension and systemic inflammation. S-NEPC is a colorimetric substrate used to measure sEH activity. It also is a substrate for Glutathione S-transferase, microsomal epoxide hydrolase and porcine liver carboxylesterase. Hydrolysis of S-NEPC by sEH yields 4-nitrophenol which can be quantified spectrophotometrically at 405 nm. S-NEPC is adaptable for use in 96-well microwell plate readers.
Smiles
O=C(OC[C@@H]1O[C@H]1c1ccccc1)Oc1ccc(cc1)N(=O)=O
Molecular Formula
C16H13NO6
Molecular Weight
315.281
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

S-Nepc
CAS Number147349-28-8
PubChem CID16211069
IUPAC Name(4-nitrophenyl) [(2S,3S)-3-phenyloxiran-2-yl]methyl carbonate
Molecular FormulaC16H13NO6
Molecular Weight315.28
XLogP3.1
Topological Polar Surface Area93.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count23
Formal Charge0
Complexity423
SMILES
C1=CC=C(C=C1)[C@H]2[C@@H](O2)COC(=O)OC3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C16H13NO6/c18-16(22-13-8-6-12(7-9-13)17(19)20)21-10-14-15(23-14)11-4-2-1-3-5-11/h1-9,14-15H,10H2/t14-,15-/m0/s1
InChIKey
NIEXHSMFFPOGRX-GJZGRUSLSA-N
Chemical Structure
2D Structure
2D structure of S-Nepc
CAS: 147349-28-8
CID: 16211069
Formula: C16H13NO6
MW: 315.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight315.28
XLogP33.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass315.07428713
Monoisotopic Mass315.07428713
Topological Polar Surface Area93.9 Ų
Heavy Atom Count23
Formal Charge0
Complexity423
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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