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SP-C01

CAT: 0013-GTR19257776-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19257776-01Size:10 mg
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Description
SP-C01 is an orally active soluble epoxide hydrolase (sEH) inhibitor and a partial agonist of PPARγ. It can inhibit the phosphorylation of Ser273.
CAS Number
2982533-42-4
Field of Research
Metabolism Research, Molecular Biology
Smiles
N (C (N[C@@H]1CC[C@@H] (OC2=CC=C (OC (C) =O) C=C2) CC1) =O) C3=CC (F) =C (OC (F) (F) F) C=C3
Molecular Formula
C22H22F4N2O5
Molecular Weight
470.41
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

[4-[4-[[3-Fluoro-4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxyphenyl] acetate
CAS Number2982533-42-4
PubChem CID175678553
IUPAC Name[4-[4-[[3-fluoro-4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxyphenyl] acetate
Molecular FormulaC22H22F4N2O5
Molecular Weight470.4
XLogP5
Topological Polar Surface Area85.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count33
Formal Charge0
Complexity649
SMILES
CC(=O)OC1=CC=C(C=C1)OC2CCC(CC2)NC(=O)NC3=CC(=C(C=C3)OC(F)(F)F)F
InChI
InChI=1S/C22H22F4N2O5/c1-13(29)31-16-7-9-18(10-8-16)32-17-5-2-14(3-6-17)27-21(30)28-15-4-11-20(19(23)12-15)33-22(24,25)26/h4,7-12,14,17H,2-3,5-6H2,1H3,(H2,27,28,30)
InChIKey
XGMCDWCGZYEFDO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of [4-[4-[[3-Fluoro-4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxyphenyl] acetate
CAS: 2982533-42-4
CID: 175678553
Formula: C22H22F4N2O5
MW: 470.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight470.4
XLogP35
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass470.14648445
Monoisotopic Mass470.14648445
Topological Polar Surface Area85.9 Ų
Heavy Atom Count33
Formal Charge0
Complexity649
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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