PA 8 - ≥98%(HPLC) , CAS No.878437-15-1

CAS: 878437-15-1 Cat. No.: P286844 Molecular Weight: 342.35 EC Number: 825-313-7 PubChem CID: 135511602

GRADE & PURITY ≥98%(HPLC)

Synonyms

MS-25238 | Z2734706286 | AT33706 | AKOS021652775 | PA-8 | HMS3431D05 | HY-133529 | SCHEMBL23547113 | EN300-1721635 | AKOS000619543 | DTXSID601113935 | AKOS040758424 | CCG-123141 | 2-amino-5-[3-methoxy-4-(prop-2-en-1-yloxy)phenyl]-3H,4H,5H,6H,7H,8H-pyrido[

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Product description

PA-8 is a potent, selective and orally active PACAP type I (PAC1) receptor antagonist. PA-8 inhibits the phosphorylation of CREB induced by PACAP in PAC1-, but not VPAC1- or VPAC2-receptor. PA-8 also inhibits PACAP-induced cAMP elevation with an IC50 of 2 nM.

Specifications

Synonyms

MS-25238 | Z2734706286 | AT33706 | AKOS021652775 | PA-8 | HMS3431D05 | HY-133529 | SCHEMBL23547113 | EN300-1721635 | AKOS000619543 | DTXSID601113935 | AKOS040758424 | CCG-123141 | 2-amino-5-[3-methoxy-4-(prop-2-en-1-yloxy)phenyl]-3H, 4H, 5H, 6H, 7H, 8H-pyrido[

Specifications & Purity

≥98%(HPLC)

Biochemical and Physiological Mechanisms

PAC1receptor antagonist. Inhibits PACAP-induced CREB phosphorylation in PAC1, but not VPAC1or VPAC2, expressing cells. Also inhibits PACAP-induced increases in cAMP levelsin vitro(IC50= 2 nM) and PACAP-induced aversive responses and mechanical allodynia f

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 488202956
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488202956
• Canonical Smiles: COC1=C(C=CC(=C1)C2CC(=O)NC3=C2C(=O)NC(=N3)N)OCC=C
• IUPAC Name: 2-amino-5-(3-methoxy-4-prop-2-enoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
• InChIKey: DCSWTWUTSKSXOV-UHFFFAOYSA-N
• INCHI: 1S/C17H18N4O4/c1-3-6-25-11-5-4-9(7-12(11)24-2)10-8-13(22)19-15-14(10)16(23)21-17(18)20-15/h3-5,7,10H,1,6,8H2,2H3,(H4,18,19,20,21,22,23)
• Isomeric SMILES: COC1=C(C=CC(=C1)C2CC(=O)NC3=C2C(=O)NC(=N3)N)OCC=C
• PubChem CID: 135511602
• Molecular Weight: 342.35

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridopyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridopyrimidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridopyrimidines
• Alternative Parents: Phenoxy compounds Methoxybenzenes Anisoles Pyrimidones Alkyl aryl ethers Aminopyrimidines and derivatives Pyridines and derivatives Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Lactams Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Primary amines
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyridopyrimidine - Phenoxy compound - Phenol ether - Anisole - Methoxybenzene - Alkyl aryl ether - Aminopyrimidine - Pyrimidone - Monocyclic benzene moiety - Pyridine - Benzenoid - Pyrimidine - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Carboxamide group - Lactam - Secondary carboxylic acid amide - Azacycle - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Primary amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as pyridopyrimidines. These are compounds containing a pyridopyrimidine, which consists of a pyridine fused to a pyrimidine. Pyridine is 6-membered ring consisting of five carbon atoms and a nitrogen atom. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(non-human)

Mus musculus (284745 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solvent:DMSO, Max Conc. mg/mL: 17.12, Max Conc. mM: 50
• Molecular Weight: 342.350 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 342.133 Da
• Monoisotopic Mass: 342.133 Da
• Topological Polar Surface Area: 115.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 643.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1