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PPTN

CAT: 0931-T12530-05Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T12530-05Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1160271-30-6
Target
P2Y Receptor
Related Pathways
Neuroscience, GPCR/G Protein
Purity
>99.99%
Bioactivity
PPTN is a high-affinity, competitive and highly selective antagonist of P2Y14 receptor (KB value of 434 pM), with anti-inflammatory and immune activity.
Smiles
C(O)(=O)C=1C=C(C2=C(C=C(C=C2)C3=CC=C(C(F)(F)F)C=C3)C1)C4=CC=C(C=C4)C5CCNCC5
Molecular Formula
C29H24F3NO2
Molecular Weight
475.5
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-((Piperindin-4-yl)-phenyl)-(7-(4-(trifluoromethyl)-phenyl)-2-naphthoic acid
CAS Number1160271-30-6
PubChem CID42611190
IUPAC Name4-(4-piperidin-4-ylphenyl)-7-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxylic acid
Molecular FormulaC29H24F3NO2
Molecular Weight475.5
XLogP4.7
Topological Polar Surface Area49.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count35
Formal Charge0
Complexity705
SMILES
C1CNCCC1C2=CC=C(C=C2)C3=C4C=CC(=CC4=CC(=C3)C(=O)O)C5=CC=C(C=C5)C(F)(F)F
InChI
InChI=1S/C29H24F3NO2/c30-29(31,32)25-8-5-19(6-9-25)22-7-10-26-23(15-22)16-24(28(34)35)17-27(26)21-3-1-18(2-4-21)20-11-13-33-14-12-20/h1-10,15-17,20,33H,11-14H2,(H,34,35)
InChIKey
FOECKIWHCOYYFL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-((Piperindin-4-yl)-phenyl)-(7-(4-(trifluoromethyl)-phenyl)-2-naphthoic acid
CAS: 1160271-30-6
CID: 42611190
Formula: C29H24F3NO2
MW: 475.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight475.5
XLogP34.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass475.17591349
Monoisotopic Mass475.17591349
Topological Polar Surface Area49.3 Ų
Heavy Atom Count35
Formal Charge0
Complexity705
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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