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PPTN (hydrochloride)

CAT: 0804-HY-110322-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-110322-01Size:5 mg
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Description
PPTN hydrochloride is a potent, high-affinity, competitive and highly selective P2Y14 receptor antagonist with a KB value of 434 pM. PPTN hydrochloride exhibits no agonist or antagonist effect at the P2Y1, P2Y2, P2Y4, P2Y6, P2Y11, P2Y12, or P2Y13 receptors. Anti-inflammatory and anti-immune activity[1].
CAS Number
1992047-65-0
UNSPSC
12352005
Target
P2Y Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/pptn-hydrochloride.html
Purity
99.89
Solubility
DMSO : 66.67 mg/mL (adjust pH to 11 with 1 M NaOH)
Smiles
FC(F)(C1=CC=C(C2=CC=C3C(C4=CC=C(C=C4)C5CCNCC5)=CC(C(O)=O)=CC3=C2)C=C1)F.Cl
Molecular Formula
C29H25ClF3NO2
Molecular Weight
511.96
References & Citations
[1]Barrett MO, et al. A selective high-affinity antagonist of the P2Y14 receptor inhibits UDP-glucose-stimulated chemotaxis of human neutrophils. Mol Pharmacol. 2013 Jul;84 (1) :41-9.|[2]Lin J, et al. The P2Y14 receptor in the trigeminal ganglion contributes to the maintenance of inflammatory pain. Neurochem Int. 2019 Dec;131:104567.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
P2Y14 Receptor
Citation 01
Clin Immunol. 2024 Jun 29:110300.|Neuropharmacology. 2025 Oct 14:110723.|Cell Rep. 2025 Nov 18;44 (12) :116577.|Int Immunopharmacol. 2023 Jan:114:109507.

Chemical Information

PPTN hydrochloride
CAS Number1992047-65-0
PubChem CID121513852
IUPAC Name4-(4-piperidin-4-ylphenyl)-7-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxylic acid;hydrochloride
Molecular FormulaC29H25ClF3NO2
Molecular Weight512.0
Topological Polar Surface Area49.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count36
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.Cl
InChI
InChI=1S/C29H24F3NO2.ClH/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);1H
InChIKey
FKMVYPCBLWYNAV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of PPTN hydrochloride
CAS: 1992047-65-0
CID: 121513852
Formula: C29H25ClF3NO2
MW: 512.0
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight512.0
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass511.1525912
Monoisotopic Mass511.1525912
Topological Polar Surface Area49.3 Ų
Heavy Atom Count36
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 Count2
Compound Is CanonicalizedYes