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AMG8788

CAT: 0931-T62128-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T62128-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1159996-43-6
Target
Others, TRP/TRPV Channel
Related Pathways
Membrane transporter/Ion channel, Others
Bioactivity
AMG8788 is a selective, potent and orally active TRPM8 antagonist (IC50: 63.2 nM) .
Smiles
C(NC1=CC=C(F)C=C1)(=O)N2[C@@H](C=3C(CC2)=CC=CC3)C4=CC=C(C(F)(F)F)C=C4
Molecular Formula
C23H18F4N2O
Molecular Weight
414.4
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(1R)-N-(4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CAS Number1159996-43-6
PubChem CID56964352
IUPAC Name(1R)-N-(4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
Molecular FormulaC23H18F4N2O
Molecular Weight414.4
XLogP5.3
Topological Polar Surface Area32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count30
Formal Charge0
Complexity582
SMILES
C1CN([C@@H](C2=CC=CC=C21)C3=CC=C(C=C3)C(F)(F)F)C(=O)NC4=CC=C(C=C4)F
InChI
InChI=1S/C23H18F4N2O/c24-18-9-11-19(12-10-18)28-22(30)29-14-13-15-3-1-2-4-20(15)21(29)16-5-7-17(8-6-16)23(25,26)27/h1-12,21H,13-14H2,(H,28,30)/t21-/m1/s1
InChIKey
ADCDUDFEGFKKQH-OAQYLSRUSA-N
Chemical Structure
2D Structure
2D structure of (1R)-N-(4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CAS: 1159996-43-6
CID: 56964352
Formula: C23H18F4N2O
MW: 414.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight414.4
XLogP35.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass414.13552585
Monoisotopic Mass414.13552585
Topological Polar Surface Area32.3 Ų
Heavy Atom Count30
Formal Charge0
Complexity582
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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