L-826266 - ≥98% , CAS No.244101-03-9

CAS: 244101-03-9 Cat. No.: L648919 Molecular Weight: 570.88 PubChem CID: 9808643

GRADE & PURITY ≥98%

Synonyms

CID 9808643 | MS-30311 | SCHEMBL1061876 | (E)-N-(5-bromo-2-methoxyphenyl)sulfonyl-3-[5-chloro-2-(naphthalen-2-ylmethyl)phenyl]prop-2-enamide | L-826,266 | SCHEMBL1061880 | L-826266 | compound 10b [PMID: 11504634] | MF266-3 | Q27078442 | AKOS040748715 | LS

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

L-826266 is a selective and competitive EP3 receptor antagonist. L-826266 can be used for convulsive disorders research

In Vitro

In adult rat hippocampal slices, L-826266 (1 μM) prevents the PGE2-induced decrease of Na+,K+-ATPase activity. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

L-826266 (0.01-1 nmol/site; i.c.v.; once) delays seizures, and increases the latency for clonic and generalized tonic-clonic seizures induced by PTZ . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Adult male Wistar rats (250-300 g) injected with Pentylenetetrazol (PTZ) Dosage: 0.01 nmol/site, 0.1 nmol/site or 1 nmol/site Administration: i.c.v.; once Result: Increased the latency for clonic and generalized tonic-clonic seizures induced by PTZ.

Form:Solid

IC50& Target:EP3

Specifications

Synonyms

CID 9808643 | MS-30311 | SCHEMBL1061876 | (E)-N-(5-bromo-2-methoxyphenyl)sulfonyl-3-[5-chloro-2-(naphthalen-2-ylmethyl)phenyl]prop-2-enamide | L-826, 266 | SCHEMBL1061880 | L-826266 | compound 10b [PMID: 11504634] | MF266-3 | Q27078442 | AKOS040748715 | LS

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

L-826266 is a selective and competitive EP3 receptor antagonist. L-826266 can be used for convulsive disorders research.

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: COC1=C(C=C(C=C1)Br)S(=O)(=O)NC(=O)C=CC2=C(C=CC(=C2)Cl)CC3=CC4=CC=CC=C4C=C3
• IUPAC Name: (E)-N-(5-bromo-2-methoxyphenyl)sulfonyl-3-[5-chloro-2-(naphthalen-2-ylmethyl)phenyl]prop-2-enamide
• InChIKey: DYXFUJYHEDGCLS-UKTHLTGXSA-N
• INCHI: 1S/C27H21BrClNO4S/c1-34-25-12-10-23(28)17-26(25)35(32,33)30-27(31)13-9-22-16-24(29)11-8-21(22)15-18-6-7-19-4-2-3-5-20(19)14-18/h2-14,16-17H,15H2,1H3,(H,30,31)/b13-9+
• Isomeric SMILES: COC1=C(C=C(C=C1)Br)S(=O)(=O)NC(=O)/C=C/C2=C(C=CC(=C2)Cl)CC3=CC4=CC=CC=C4C=C3
• Alternate CAS: 244101-03-9
• PubChem CID: 9808643
• MeSH Entry Terms: L-826266
• Molecular Weight: 570.88

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: Benzenesulfonamides Naphthalenes Benzenesulfonyl compounds Styrenes Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Bromobenzenes Chlorobenzenes Aryl chlorides Aryl bromides Organosulfonic acids and derivatives Aminosulfonyl compounds Carboxylic acids and derivatives Carbonyl compounds Organochlorides Organonitrogen compounds Hydrocarbon derivatives Organobromides Organic oxides
• 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 - Chlorobenzene - Bromobenzene - Aryl bromide - Aryl chloride - Benzenoid - Monocyclic benzene moiety - Aryl halide - Sulfonyl - Organosulfonic acid or derivatives - Aminosulfonyl compound - Organic sulfonic acid or derivatives - Carboxylic acid derivative - Ether - Organic nitrogen compound - Organohalogen compound - Organobromide - Carbonyl group - Organochloride - 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

Associated Targets(Human)

PTGER3 Tclin Prostaglandin E2 receptor EP3 subtype (0 Activities)

Discover Target: PTGER3

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

Chemical and Physical Properties

• Solubility: DMSO : 10 mg/mL (17.52 mM; ultrasonic and warming and heat to 60°C)
• Molecular Weight: 570.900 g/mol
• XLogP3: 7.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 569.006 Da
• Monoisotopic Mass: 569.006 Da
• Topological Polar Surface Area: 80.900 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 847.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1