MedKoo Cat#: 562743 | Name: PPTN Mesylate

Description:

WARNING: This product is for research use only, not for human or veterinary use.

PPTN Mesylate is a potent and highly selective antagonist of the P2Y14 receptor (P2Y14R), one of eight P2Y G protein-coupled receptors.

Chemical Structure

PPTN Mesylate
PPTN Mesylate
CAS#1160271-31-7

Theoretical Analysis

MedKoo Cat#: 562743

Name: PPTN Mesylate

CAS#: 1160271-31-7

Chemical Formula: C30H28F3NO5S

Exact Mass: 571.1640

Molecular Weight: 571.61

Elemental Analysis: C, 63.04; H, 4.94; F, 9.97; N, 2.45; O, 13.99; S, 5.61

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
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Synonym
PPTN Mesylate; PPTN Mesylate salt;
IUPAC/Chemical Name
4-(4-(Piperidin-4-yl)-phenyl)-7-(4-(trifluoromethyl)-phenyl)-2-naphthoic acid Mesylate
InChi Key
NUTQRNOURPWIIS-UHFFFAOYSA-N
InChi Code
InChI=1S/C29H24F3NO2.CH4O3S/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;1-5(2,3)4/h1-10,15-17,20,33H,11-14H2,(H,34,35);1H3,(H,2,3,4)
SMILES Code
O=C(O)C1=CC(C2=CC=C(C3CCNCC3)C=C2)=C4C=CC(C5=CC=C(C(F)(F)F)C=C5)=CC4=C1.OS(=O)(C)=O
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>2 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 571.61 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
1: de Oliveira RC, de Oliveira R, Falconi-Sobrinho LL, Biagioni AF, Almada RC, Dos Anjos-Garcia T, Bazaglia-de-Sousa G, Khan AU, Coimbra NC. Neurotoxic lesions of the pedunculopontine tegmental nucleus impair the elaboration of postictal antinociception. Physiol Behav. 2018 May 12. pii: S0031-9384(18)30234-8. doi: 10.1016/j.physbeh.2018.05.011. [Epub ahead of print] PubMed PMID: 29763677. 2: Rafehi M, Müller CE. Tools and drugs for uracil nucleotide-activated P2Y receptors. Pharmacol Ther. 2018 Apr 13. pii: S0163-7258(18)30065-2. doi: 10.1016/j.pharmthera.2018.04.002. [Epub ahead of print] Review. PubMed PMID: 29660366. 3: Vázquez-Delgado E, Viaplana-Gutiérrez M, Figueiredo R, Renton T, Gay-Escoda C, Valmaseda-Castellón E. Prevalence of neuropathic pain and sensory alterations after dental implant placement in a university-based oral surgery department: A retrospective cohort study. Gerodontology. 2018 Jun;35(2):117-122. doi: 10.1111/ger.12326. Epub 2018 Feb 19. PubMed PMID: 29460459. 4: Abbas ZSB, Latif ML, Dovlatova N, Fox SC, Heptinstall S, Dunn WR, Ralevic V. UDP-sugars activate P2Y(14) receptors to mediate vasoconstriction of the porcine coronary artery. Vascul Pharmacol. 2018 Apr;103-105:36-46. doi: 10.1016/j.vph.2017.12.063. Epub 2017 Dec 15. PubMed PMID: 29253618; PubMed Central PMCID: PMC5906693. 5: Srivastava A, Karthick T, Joshi BD, Mishra R, Tandon P, Ayala AP, Ellena J. Spectroscopic (far or terahertz, mid-infrared and Raman) investigation, thermal analysis and biological activity of piplartine. Spectrochim Acta A Mol Biomol Spectrosc. 2017 Sep 5;184:368-381. doi: 10.1016/j.saa.2017.05.007. Epub 2017 May 5. PubMed PMID: 28538206. 6: Jeong SJ, Jeon CJ. Localization of choline acetyltransferase and tyrosine hydroxylase immunoreactivities in the superior colliculus of the microbat, Rhinolophus ferrumequinum. Histol Histopathol. 2017 Jun;32(6):609-626. doi: 10.14670/HH-11-826. Epub 2016 Sep 29. PubMed PMID: 27681043. 7: Sesma JI, Weitzer CD, Livraghi-Butrico A, Dang H, Donaldson S, Alexis NE, Jacobson KA, Harden TK, Lazarowski ER. UDP-glucose promotes neutrophil recruitment in the lung. Purinergic Signal. 2016 Dec;12(4):627-635. Epub 2016 Jul 15. PubMed PMID: 27421735; PubMed Central PMCID: PMC5124001. 8: Junker A, Balasubramanian R, Ciancetta A, Uliassi E, Kiselev E, Martiriggiano C, Trujillo K, Mtchedlidze G, Birdwell L, Brown KA, Harden TK, Jacobson KA. Structure-Based Design of 3-(4-Aryl-1H-1,2,3-triazol-1-yl)-Biphenyl Derivatives as P2Y14 Receptor Antagonists. J Med Chem. 2016 Jul 14;59(13):6149-68. doi: 10.1021/acs.jmedchem.6b00044. Epub 2016 Jun 22. PubMed PMID: 27331270; PubMed Central PMCID: PMC4947982. 9: Dagsdóttir LK, Skyt I, Vase L, Baad-Hansen L, Castrillon E, Svensson P. Reports of perceptual distortion of the face are common in patients with different types of chronic oro-facial pain. J Oral Rehabil. 2016 Jun;43(6):409-16. doi: 10.1111/joor.12383. Epub 2016 Jan 30. PubMed PMID: 26826628. 10: Jacobson KA, Müller CE. Medicinal chemistry of adenosine, P2Y and P2X receptors. Neuropharmacology. 2016 May;104:31-49. doi: 10.1016/j.neuropharm.2015.12.001. Epub 2015 Dec 12. Review. PubMed PMID: 26686393; PubMed Central PMCID: PMC4871727. 11: Bimbashi V, Čelebić A, Staka G, Hoxha F, Peršić S, Petričević N. Psychometric properties of the Albanian version of the Orofacial Esthetic Scale: OES-ALB. BMC Oral Health. 2015 Aug 26;15:97. doi: 10.1186/s12903-015-0083-x. PubMed PMID: 26306391; PubMed Central PMCID: PMC4548323. 12: Kiselev E, Balasubramanian R, Uliassi E, Brown KA, Trujillo K, Katritch V, Hammes E, Stevens RC, Harden TK, Jacobson KA. Design, synthesis, pharmacological characterization of a fluorescent agonist of the P2Y₁₄ receptor. Bioorg Med Chem Lett. 2015 Nov 1;25(21):4733-4739. doi: 10.1016/j.bmcl.2015.08.021. Epub 2015 Aug 10. PubMed PMID: 26303895; PubMed Central PMCID: PMC4607650. 13: Okada K, Kobayashi Y. Rhythmic Firing of Pedunculopontine Tegmental Nucleus Neurons in Monkeys during Eye Movement Task. PLoS One. 2015 Jun 1;10(6):e0128147. doi: 10.1371/journal.pone.0128147. eCollection 2015. PubMed PMID: 26030664; PubMed Central PMCID: PMC4452564. 14: Jacobson KA, Gao ZG, Paoletta S, Kiselev E, Chakraborty S, Jayasekara PS, Balasubramanian R, Tosh DK. John Daly Lecture: Structure-guided Drug Design for Adenosine and P2Y Receptors. Comput Struct Biotechnol J. 2014 Oct 16;13:286-98. doi: 10.1016/j.csbj.2014.10.004. eCollection 2015. Review. PubMed PMID: 25973142; PubMed Central PMCID: PMC4423517. 15: Azroyan A, Cortez-Retamozo V, Bouley R, Liberman R, Ruan YC, Kiselev E, Jacobson KA, Pittet MJ, Brown D, Breton S. Renal intercalated cells sense and mediate inflammation via the P2Y14 receptor. PLoS One. 2015 Mar 23;10(3):e0121419. doi: 10.1371/journal.pone.0121419. eCollection 2015. PubMed PMID: 25799465; PubMed Central PMCID: PMC4370445. 16: Kiselev E, Barrett MO, Katritch V, Paoletta S, Weitzer CD, Brown KA, Hammes E, Yin AL, Zhao Q, Stevens RC, Harden TK, Jacobson KA. Exploring a 2-naphthoic acid template for the structure-based design of P2Y14 receptor antagonist molecular probes. ACS Chem Biol. 2014 Dec 19;9(12):2833-42. doi: 10.1021/cb500614p. Epub 2014 Oct 20. PubMed PMID: 25299434; PubMed Central PMCID: PMC4273980. 17: Okada K, Kobayashi Y. Fixational saccade-related activity of pedunculopontine tegmental nucleus neurons in behaving monkeys. Eur J Neurosci. 2014 Aug;40(4):2641-51. doi: 10.1111/ejn.12632. Epub 2014 May 27. PubMed PMID: 24863483. 18: Mazzei-Silva EC, de Oliveira RC, dos Anjos Garcia T, Falconi-Sobrinho LL, Almada RC, Coimbra NC. Intrinsic connections within the pedunculopontine tegmental nucleus are critical to the elaboration of post-ictal antinociception. Synapse. 2014 Aug;68(8):369-77. doi: 10.1002/syn.21749. Epub 2014 May 14. PubMed PMID: 24782316. 19: Alsaqati M, Latif ML, Chan SL, Ralevic V. Novel vasocontractile role of the P2Y₁₄ receptor: characterization of its signalling in porcine isolated pancreatic arteries. Br J Pharmacol. 2014 Feb;171(3):701-13. doi: 10.1111/bph.12473. PubMed PMID: 24138077; PubMed Central PMCID: PMC3969082. 20: Okada K, Kobayashi Y. Reward prediction-related increases and decreases in tonic neuronal activity of the pedunculopontine tegmental nucleus. Front Integr Neurosci. 2013 May 14;7:36. doi: 10.3389/fnint.2013.00036. eCollection 2013. PubMed PMID: 23717270; PubMed Central PMCID: PMC3653103.