L-798106 - ≥99% , CAS No.244101-02-8

CAS: 244101-02-8 Cat. No.: L1432810 Molecular Weight: 536.44 EC Number: 663-942-7 PubChem CID: 15551229

GRADE & PURITY ≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

L-798106 is potent and highly selective prostanoid EP 3 receptor antagonist ( K i =0.3 nM), it also has ?micromolar activities at the EP 4 , EP 1 and EP 2 receptors with K i values of916 nM, >5000 nM and >5000 nM, respectively.

Specifications

Specifications & Purity

≥99%

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

≥99%

Names and Identifiers

• Canonical Smiles: COC1=C(C=C(C=C1)Br)S(=O)(=O)NC(=O)C=CC2=CC=CC=C2CC3=CC4=CC=CC=C4C=C3
• IUPAC Name: (E)-N-(5-bromo-2-methoxyphenyl)sulfonyl-3-[2-(naphthalen-2-ylmethyl)phenyl]prop-2-enamide
• InChIKey: ODTKFNUPVBULRJ-NTCAYCPXSA-N
• INCHI: 1S/C27H22BrNO4S/c1-33-25-14-13-24(28)18-26(25)34(31,32)29-27(30)15-12-21-7-3-5-9-23(21)17-19-10-11-20-6-2-4-8-22(20)16-19/h2-16,18H,17H2,1H3,(H,29,30)/b15-12+
• Isomeric SMILES: COC1=C(C=C(C=C1)Br)S(=O)(=O)NC(=O)/C=C/C2=CC=CC=C2CC3=CC4=CC=CC=C4C=C3
• WGK Germany: 3
• Alternate CAS: 244101-02-8
• PubChem CID: 15551229
• MeSH Entry Terms: 5-bromo-2-methoxy-N-(3-(naphthalen-2-yl-methylphenyl)acryloyl)benzenesulfonamide;L-798106
• Molecular Weight: 536.44

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Class Cinnamic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: Cinnamic acids and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Cinnamic acids and derivatives
• Alternative Parents: Naphthalenes Benzenesulfonamides Benzenesulfonyl compounds Styrenes Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Bromobenzenes Aryl bromides Organosulfonic acids and derivatives Aminosulfonyl compounds Carboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organonitrogen compounds
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Cinnamic acid or derivatives - Naphthalene - Benzenesulfonamide - Benzenesulfonyl group - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Styrene - Alkyl aryl ether - Halobenzene - Bromobenzene - Aryl bromide - Aryl halide - Benzenoid - Monocyclic benzene moiety - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid derivative - Ether - Organic nitrogen compound - Organohalogen compound - Organobromide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as cinnamic acids and derivatives. These are organic aromatic compounds containing a benzene and a carboxylic acid group (or a derivative thereof) forming 3-phenylprop-2-enoic acid.
• 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