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AF3442

CAT: 0931-T68334-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T68334-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
924636-93-1
Target
Others
Related Pathways
Others
Bioactivity
AF3442 is a potent and selective mPGES-1 inhibitor (microsomal prostaglandin (PG) E synthase-1) . AF3442 caused a concentration-dependent inhibition of PGE (2) in human recombinant mPGES-1 with an IC (50) of 0.06microM. AF3442 is a selective mPGES-1 inhibitor which reduced monocyte PGE (2) generation also in the presence of plasma proteins. Pharmacological inhibition of mPGES-1 did not translate into redirection of PGH (2) metabolism towards other terminal PG synthases in monocytes. The functional relevance of this observation deserves to be investigated in vivo.
Smiles
C(C)N1C=2C(C=3C1=CC=CC3)=CC(NC(=O)C4=C(C(F)(F)F)C=CC=C4)=CC2
Molecular Formula
C22H17F3N2O
Molecular Weight
382.38
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-(9-ethylcarbazol-3-yl)-2-(trifluoromethyl)benzamide
CAS Number924636-93-1
PubChem CID15940274
IUPAC NameN-(9-ethylcarbazol-3-yl)-2-(trifluoromethyl)benzamide
Molecular FormulaC22H17F3N2O
Molecular Weight382.4
XLogP5.4
Topological Polar Surface Area34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count28
Formal Charge0
Complexity566
SMILES
CCN1C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3C(F)(F)F)C4=CC=CC=C41
InChI
InChI=1S/C22H17F3N2O/c1-2-27-19-10-6-4-7-15(19)17-13-14(11-12-20(17)27)26-21(28)16-8-3-5-9-18(16)22(23,24)25/h3-13H,2H2,1H3,(H,26,28)
InChIKey
GHLDHBQXNPNZEI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(9-ethylcarbazol-3-yl)-2-(trifluoromethyl)benzamide
CAS: 924636-93-1
CID: 15940274
Formula: C22H17F3N2O
MW: 382.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight382.4
XLogP35.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass382.12929766
Monoisotopic Mass382.12929766
Topological Polar Surface Area34 Ų
Heavy Atom Count28
Formal Charge0
Complexity566
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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