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AF3442

CAT: 0013-GTR19212479-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19212479-01Size:25 mg
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Description
AF3442 is a potent and selective inhibitor of microsomal prostaglandin E synthase-1 (mPGES-1), demonstrating an IC50 of 0.06 μM in vitro. It effectively suppresses PGE2 production in human monocytes without redirecting PGH2 metabolism to other prostaglandin pathways, making it a valuable tool for investigating inflammation and pain in both cellular and animal models.
CAS Number
924636-93-1
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
Storage Conditions
-20°C
Notes
For research use only.

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
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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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