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Trans-AUCB

CAT: 0931-T17158-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T17158-01Size:1 mg
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CAS Number
885012-33-9
Target
Epoxide Hydrolase
Related Pathways
Metabolism
Purity
0.9966
Bioactivity
Trans-AUCB (t-AUCB) is an effective and selective soluble epoxide hydrolase inhibitor, with IC50 values of 1.3 nM for hsEH, 8 nM for mouse sEH, and 8 nM for rat sEH.
Smiles
OC(=O)c1ccc(OC2CCC(CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1
Molecular Formula
C24H32N2O4
Molecular Weight
412.52
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-(4-(3-Adamantan-1-ylureido)cyclohexyloxy)benzoic acid

structure in first source

CAS Number885012-33-9
PubChem CID16038368
IUPAC Name4-[4-(1-adamantylcarbamoylamino)cyclohexyl]oxybenzoic acid
Molecular FormulaC24H32N2O4
Molecular Weight412.5
XLogP4.6
Topological Polar Surface Area87.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity608
SMILES
C1CC(CCC1NC(=O)NC23CC4CC(C2)CC(C4)C3)OC5=CC=C(C=C5)C(=O)O
InChI
InChI=1S/C24H32N2O4/c27-22(28)18-1-5-20(6-2-18)30-21-7-3-19(4-8-21)25-23(29)26-24-12-15-9-16(13-24)11-17(10-15)14-24/h1-2,5-6,15-17,19,21H,3-4,7-14H2,(H,27,28)(H2,25,26,29)
InChIKey
KNBWKJBQDAQARU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(4-(3-Adamantan-1-ylureido)cyclohexyloxy)benzoic acid
CAS: 885012-33-9
CID: 16038368
Formula: C24H32N2O4
MW: 412.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight412.5
XLogP34.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass412.23620751
Monoisotopic Mass412.23620751
Topological Polar Surface Area87.7 Ų
Heavy Atom Count30
Formal Charge0
Complexity608
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

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