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AMG9678

CAT: 0013-GTR19186454-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19186454-02Size:50 mg
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Description
AMG9678 is a potent and selective orally bioavailable antagonist of the TRPM8 ion channel, exhibiting an IC50 of 31.2 nM. This compound is a valuable research tool for investigating TRPM8's role in vivo and in vitro in areas such as cold sensation, migraine, and overactive bladder.
CAS Number
1159997-27-9
Field of Research
Pharmacology & Drug Discovery
Smiles
C (N[C@H] (C (F) (F) F) C) (=O) N1[C@@H] (C=2C (CC1) =CC=CC2) C3=CC=C (C (F) (F) F) C=C3
Molecular Formula
C20H18F6N2O
Molecular Weight
416.36
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(R)-1-(4-(trifluoromethyl)phenyl)-N-((S)-1,1,1-trifluoropropan-2-yl)-3,4-dihydroisoquinoline-2(1H)-carboxamide
CAS Number1159997-27-9
PubChem CID59536364
IUPAC Name(1R)-1-[4-(trifluoromethyl)phenyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
Molecular FormulaC20H18F6N2O
Molecular Weight416.4
XLogP5.2
Topological Polar Surface Area32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Heavy Atom Count29
Formal Charge0
Complexity570
SMILES
C[C@@H](C(F)(F)F)NC(=O)N1CCC2=CC=CC=C2[C@H]1C3=CC=C(C=C3)C(F)(F)F
InChI
InChI=1S/C20H18F6N2O/c1-12(19(21,22)23)27-18(29)28-11-10-13-4-2-3-5-16(13)17(28)14-6-8-15(9-7-14)20(24,25)26/h2-9,12,17H,10-11H2,1H3,(H,27,29)/t12-,17+/m0/s1
InChIKey
OGMWZDQYXGKSBP-YVEFUNNKSA-N
Chemical Structure
2D Structure
2D structure of (R)-1-(4-(trifluoromethyl)phenyl)-N-((S)-1,1,1-trifluoropropan-2-yl)-3,4-dihydroisoquinoline-2(1H)-carboxamide
CAS: 1159997-27-9
CID: 59536364
Formula: C20H18F6N2O
MW: 416.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight416.4
XLogP35.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass416.13233217
Monoisotopic Mass416.13233217
Topological Polar Surface Area32.3 Ų
Heavy Atom Count29
Formal Charge0
Complexity570
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-104062AMG9678

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