BGC-20-1531 free base - ≥98% , CAS No.736183-35-0

CAS: 736183-35-0 Cat. No.: B651666 Molecular Weight: 492.54 PubChem CID: 18444613

GRADE & PURITY ≥98%

Synonyms

9QV7JG4XYZ | 4-((4-(5-Methoxypyridin-2-yl)phenoxy)methyl)-5-methyl-N-(o-tolylsulfonyl)furan-2-carboxamide | 4-{[4-(5-methoxypyridin-2-yl)phenoxy]methyl}-5-methyl-N-(2-methylbenzenesulfonyl)furan-2-carboxamide | 4-[[4-(5-methoxypyridin-2-yl)phenoxy]methyl]

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

BGC-20-1531 (PGN 1531) free base is a potent and selective prostanoid EP 4 receptor antagonist, with a pK B of 7.6. BGC-20-1531 free base has the potential for the research of migraine headache

In Vitro

BGC-20-1531 free base competitively antagonized PGE 2 -induced vasodilatation of human middle cerebral (pK b =7.8) and meningeal (pK b =7.6) arteries, but had no effect on responses induced by PGE 2 on coronary, pulmonary or renal arteries. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

BGC-20-1531 free base (1-10 mg/kg; i.v.) causes a dose-dependent antagonism of the PGE 2 -induced increase in canine carotid blood flow . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Beagle dogs Dosage: 1-10 mg/kg Administration: I.v. Result: Caused a dose-dependent antagonism of the PGE 2 -induced increase in canine carotid blood flow.

Form:Solid

IC50& Target:EP4 7.6 (pKd)

Specifications

Synonyms

9QV7JG4XYZ | 4-((4-(5-Methoxypyridin-2-yl)phenoxy)methyl)-5-methyl-N-(o-tolylsulfonyl)furan-2-carboxamide | 4-{[4-(5-methoxypyridin-2-yl)phenoxy]methyl}-5-methyl-N-(2-methylbenzenesulfonyl)furan-2-carboxamide | 4-[[4-(5-methoxypyridin-2-yl)phenoxy]methyl]

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

BGC-20-1531 (PGN 1531) free base is a potent and selective prostanoid EP 4 receptor antagonist, with a pK B of 7.6. BGC-20-1531 free base has the potential for the research of migraine headache.

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.

Action Type

ANTAGONIST

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC1=CC=CC=C1S(=O)(=O)NC(=O)C2=CC(=C(O2)C)COC3=CC=C(C=C3)C4=NC=C(C=C4)OC
• IUPAC Name: 4-[[4-(5-methoxypyridin-2-yl)phenoxy]methyl]-5-methyl-N-(2-methylphenyl)sulfonylfuran-2-carboxamide
• InChIKey: IXDVRRPNWPOPGV-UHFFFAOYSA-N
• INCHI: 1S/C26H24N2O6S/c1-17-6-4-5-7-25(17)35(30,31)28-26(29)24-14-20(18(2)34-24)16-33-21-10-8-19(9-11-21)23-13-12-22(32-3)15-27-23/h4-15H,16H2,1-3H3,(H,28,29)
• Isomeric SMILES: CC1=CC=CC=C1S(=O)(=O)NC(=O)C2=CC(=C(O2)C)COC3=CC=C(C=C3)C4=NC=C(C=C4)OC
• Alternate CAS: 1186532-61-5
• PubChem CID: 18444613
• Molecular Weight: 492.54

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives
      • Subclass Phenylpyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Phenylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyridines
• Alternative Parents: Benzenesulfonamides Benzenesulfonyl compounds Phenoxy compounds Phenol ethers Furoic acid and derivatives Toluenes Alkyl aryl ethers Aminosulfonyl compounds Organosulfonic acids and derivatives Heteroaromatic compounds Carboxylic acids and derivatives Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organopnictogen compounds Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-phenylpyridine - Benzenesulfonamide - Benzenesulfonyl group - Furoic acid or derivatives - Phenoxy compound - Phenol ether - Alkyl aryl ether - Toluene - Monocyclic benzene moiety - Benzenoid - Furan - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Heteroaromatic compound - Ether - Carboxylic acid derivative - Oxacycle - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.
• 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(Human)

PTGER4 Tclin Prostaglandin E2 receptor EP4 subtype (1 Activities)

Discover Target: PTGER4

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

PTGER4 Tclin Prostanoid EP4 receptor (2181 Activities)

Discover Target: PTGER4

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO : 250 mg/mL (507.57 mM; Need ultrasonic)
• Molecular Weight: 492.500 g/mol
• XLogP3: 4.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 492.136 Da
• Monoisotopic Mass: 492.136 Da
• Topological Polar Surface Area: 116.000 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 794.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1