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MF-766

CAT: 0013-GTR19155534Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19155534Size:5 mg
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Description
MF-766 (MF766) is a highly potent and selective EP (4) antagonist with binding Ki of 0.23 nM, displays no significant affinity (>7000-fold selectivity) against other PG receptors (IC50>1500 nM) ; behaved as a full antagonist with an IC50 of 1.4 nM (shifted to 1.8 nM in the presence of 10% HS) in the functional assay; exhibits blockade of inhibition of TNFa-induced IP10 release by the specific EP4 agonist L-000902688 (IC50=9.5 nM) ; demonstrates potency and efficacy of in the rat AIA model measuring inhibition of paw swelling.
CAS Number
1050656-06-8
Purity
>98%
Smiles
O=C (O) C1=CC=C (C2 (NC (C3=CC=CC4=C3N (CC5=CC=C (C (F) (F) F) C=C5) C=C4) =O) CC2) C=C1
Molecular Formula
C27H21F3N2O3
Molecular Weight
478.471
Notes
For research use only.

Chemical Information

4-(1-(1-(4-(trifluoromethyl)benzyl)-1H-indole-7-carboxamido)cyclopropyl)benzoic acid
CAS Number1050656-06-8
PubChem CID25003075
IUPAC Name4-[1-[[1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carbonyl]amino]cyclopropyl]benzoic acid
Molecular FormulaC27H21F3N2O3
Molecular Weight478.5
XLogP5.1
Topological Polar Surface Area71.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count35
Formal Charge0
Complexity783
SMILES
C1CC1(C2=CC=C(C=C2)C(=O)O)NC(=O)C3=CC=CC4=C3N(C=C4)CC5=CC=C(C=C5)C(F)(F)F
InChI
InChI=1S/C27H21F3N2O3/c28-27(29,30)21-8-4-17(5-9-21)16-32-15-12-18-2-1-3-22(23(18)32)24(33)31-26(13-14-26)20-10-6-19(7-11-20)25(34)35/h1-12,15H,13-14,16H2,(H,31,33)(H,34,35)
InChIKey
BWXAZFCPGFKANL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(1-(1-(4-(trifluoromethyl)benzyl)-1H-indole-7-carboxamido)cyclopropyl)benzoic acid
CAS: 1050656-06-8
CID: 25003075
Formula: C27H21F3N2O3
MW: 478.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight478.5
XLogP35.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass478.15042702
Monoisotopic Mass478.15042702
Topological Polar Surface Area71.3 Ų
Heavy Atom Count35
Formal Charge0
Complexity783
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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