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P2Y14R antagonist 2

CAT: 0013-GTR19236391-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19236391-01Size:25 mg
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Description
P2Y14R antagonist 2 (compound 39) is a potent, selective, and orally bioavailable antagonist with sub-nanomolar activity (IC50 = 0.40 nM) . Its anti-inflammatory properties make it a valuable pharmacological tool for investigating P2Y14R's role in inflammatory diseases, including preclinical models of colitis.
CAS Number
2989271-65-8
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
O=C (O) C=1SC (OC2=NC=C (F) C=C2) =C (C1) NC (=O) C3=CC=C (C=C3) C
Molecular Formula
C18H13FN2O4S
Molecular Weight
372.37
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

P2Y14R antagonist 2
CAS Number2989271-65-8
PubChem CID171904694
IUPAC Name5-[(5-fluoro-2-pyridinyl)oxy]-4-[(4-methylbenzoyl)amino]thiophene-2-carboxylic acid
Molecular FormulaC18H13FN2O4S
Molecular Weight372.4
XLogP3.9
Topological Polar Surface Area117
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity515
SMILES
CC1=CC=C(C=C1)C(=O)NC2=C(SC(=C2)C(=O)O)OC3=NC=C(C=C3)F
InChI
InChI=1S/C18H13FN2O4S/c1-10-2-4-11(5-3-10)16(22)21-13-8-14(17(23)24)26-18(13)25-15-7-6-12(19)9-20-15/h2-9H,1H3,(H,21,22)(H,23,24)
InChIKey
KAEIYLNVWZAJCK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of P2Y14R antagonist 2
CAS: 2989271-65-8
CID: 171904694
Formula: C18H13FN2O4S
MW: 372.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight372.4
XLogP33.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass372.05800624
Monoisotopic Mass372.05800624
Topological Polar Surface Area117 Ų
Heavy Atom Count26
Formal Charge0
Complexity515
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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