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TAS2R14 agonist-2

CAT: 0804-HY-153265-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-153265-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
TAS2R14 agonist-2 (compound 28.1) is a potent and selective TAS2R14 agonist with an EC50 value of 72 nM. TAS2R14 agonist-2 reveals marked selectivity over a panel of 24 non-bitter taste human G protein-coupled receptors. TAS2R14 agonist-2 can be used for the studies of asthma or chronic obstructive pulmonary disease[1].
CAS Number
2883007-69-8
UNSPSC
12352005
Target
Taste Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/tas2r14-agonist-2.html
Purity
99.91
Solubility
DMSO : 20 mg/mL (ultrasonic)
Smiles
FC(F)(C1=CC(C)=NC(NC2=C(C3=NN=NN3)C=CC=C2)=N1)F
Molecular Formula
C13H10F3N7
Molecular Weight
321.26
References & Citations
[1]Waterloo L, et al. Discovery of 2-Aminopyrimidines as Potent Agonists for the Bitter Taste Receptor TAS2R14. J Med Chem. 2023 Mar 9;66 (5) :3499-3521.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

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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