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TAS2R14 agonist-2

CAT: 0013-GTR19219382-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19219382-01Size:25 mg
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Description
Compound 28.1 (TAS2R14 agonist-2) is a potent and selective TAS2R14 receptor agonist with an EC50 of 72 nM. This small molecule is a valuable research tool for studying bitter taste transduction and TAS2R14's roles in metabolic and immune processes in both cellular and animal models.
CAS Number
2883007-69-8
Field of Research
Metabolism Research, Pharmacology & Drug Discovery
Smiles
FC (F) (F) C=1N=C (N=C (C1) C) NC=2C=CC=CC2C3=NN=NN3
Molecular Formula
C13H10F3N7
Molecular Weight
321.26
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

TAS2R14 agonist-2
CAS Number2883007-69-8
PubChem CID167312460
IUPAC Name4-methyl-N-[2-(2H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)pyrimidin-2-amine
Molecular FormulaC13H10F3N7
Molecular Weight321.26
XLogP2.6
Topological Polar Surface Area92.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Heavy Atom Count23
Formal Charge0
Complexity394
SMILES
CC1=CC(=NC(=N1)NC2=CC=CC=C2C3=NNN=N3)C(F)(F)F
InChI
InChI=1S/C13H10F3N7/c1-7-6-10(13(14,15)16)19-12(17-7)18-9-5-3-2-4-8(9)11-20-22-23-21-11/h2-6H,1H3,(H,17,18,19)(H,20,21,22,23)
InChIKey
XXKGCSWBGJTTJM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of TAS2R14 agonist-2
CAS: 2883007-69-8
CID: 167312460
Formula: C13H10F3N7
MW: 321.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight321.26
XLogP32.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Exact Mass321.09497783
Monoisotopic Mass321.09497783
Topological Polar Surface Area92.3 Ų
Heavy Atom Count23
Formal Charge0
Complexity394
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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HY-153265-01TAS2R14 agonist-2
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