ChemSpider 2D Image | L-798106 | C27H22BrNO4S

L-798106

  • Molecular FormulaC27H22BrNO4S
  • Average mass536.437 Da
  • Monoisotopic mass535.045288 Da
  • ChemSpider ID13078150

  • Double-bond stereo - Double-bond stereo

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2E)-N-[(5-Brom-2-methoxyphenyl)sulfonyl]-3-[2-(2-naphthylmethyl)phenyl]acrylamid [German] [ACD/IUPAC Name]
(2E)-N-[(5-bromo-2-methoxyphenyl)sulfonyl]-3-[2-(2-naphthalenylmethyl)phenyl]-2-propenamide
(2E)-N-[(5-Bromo-2-methoxyphenyl)sulfonyl]-3-[2-(2-naphthylmethyl)phenyl]acrylamide [ACD/IUPAC Name]
(2E)-N-[(5-Bromo-2-méthoxyphényl)sulfonyl]-3-[2-(2-naphtylméthyl)phényl]acrylamide [French] [ACD/IUPAC Name]
(2E)-N-[(5-bromo-2-methoxyphenyl)sulfonyl]-3-[2-(naphthalen-2-ylmethyl)phenyl]prop-2-enamide
244101-02-8 [RN]
2-Propenamide, N-[(5-bromo-2-methoxyphenyl)sulfonyl]-3-[2-(2-naphthalenylmethyl)phenyl]-, (2E)- [ACD/Index Name]
L-798,106
L-798106
MFCD08272644
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Chemical Class:

      An <element>N</element>-sulfonylcarboxamide resulting from the formal condensation of the carboxy group of <ital>o</ital>-naphthalen-2-ylcinnamic acid with the sulfonamide group of 5-bromo-2-methoxybe nzenesulfonamide. It is a selective antagonist for the prostanoid receptor EP<smallsub>3</smallsub>, a prostaglandin receptor for prostaglandin E2 (PGE<smallsub>2</smallsub>). ChEBI CHEBI:138743
      An N-sulfonylcarboxamide resulting from the formal condensation of the carboxy group of o-naphthalen-2-ylcinnamic acid with the sulfonamide group of 5-bromo-2-methoxybe; nzenesulfonamide. It is a sele ctive antagonist for the prostanoid receptor EP3, a prostaglandin receptor for prostaglandin E2 (PGE2). ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:138743
      An N-sulfonylcarboxamide resulting from the formal condensation of the carboxy group of o-naphthalen-2-ylcinnamic acid with the sulfonamide group of 5-bromo-2-methoxybenzenesulfonamide. It is a select ive antagonist for the prostanoid receptor EP3, a prostaglandin receptor for prostaglandin E2 (PGE2). ChEBI CHEBI:138743

    • Bio Activity:

      7-TM Receptors Tocris Bioscience 3342
      Potent and highly selective EP3 antagonist Tocris Bioscience 3342
      Potent and highly selective prostanoid EP3 receptor antagonist (Ki values are 0.3, 916, > 5000 and > 5000 nM at EP3, EP4, EP1 and EP2 respectively). Attenuates sulprostone-induced inhibition of EFS-ev oked twitch and contractile responses in vivo. Tocris Bioscience 3342
      Potent and highly selective prostanoid EP3 receptor antagonist (Ki values are 0.3, 916, > 5000 and > 5000 nM at EP3, EP4, EP1 and EP2 respectively). Attenuates sulprostone-induced inhibition of EFS-evoked twitch and contractile responses in vivo. Tocris Bioscience 3342
      Prostanoid Receptors Tocris Bioscience 3342

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.660
Molar Refractivity: 138.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 7.68
ACD/LogD (pH 5.5): 5.27
ACD/BCF (pH 5.5): 3093.84
ACD/KOC (pH 5.5): 5008.44
ACD/LogD (pH 7.4): 4.50
ACD/BCF (pH 7.4): 522.37
ACD/KOC (pH 7.4): 845.64
Polar Surface Area: 81 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 55.1±3.0 dyne/cm
Molar Volume: 376.2±3.0 cm3

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