H2L5186303 - Moligand™, ≥98%(HPLC) , Antagonist of LPA 2 receptor;Antagonist of LPA 3 receptor, CAS No.139262-76-3, Antagonist of LPA 2 receptor;Antagonist of LPA 3 receptor

CAS: 139262-76-3 Cat. No.: H287312 Peso molecular: 488.45

GRADE & PURITY Moligand™, ≥98%(HPLC)

Synonyms

(Z,Z)-4,4'-[1,3-Phenylenebis(oxy-4,1-phenyleneimino)]bis[4-oxo-2-butenoic acid | (2Z,2'Z)-4,4'-(((1,3-phenylenebis(oxy))bis(4,1-phenylene))bis(azanediyl))bis(4-oxobut-2-enoic acid)

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

(Z, Z)-4, 4'-[1, 3-Phenylenebis(oxy-4, 1-phenyleneimino)]bis[4-oxo-2-butenoic acid | (2Z, 2'Z)-4, 4'-(((1, 3-phenylenebis(oxy))bis(4, 1-phenylene))bis(azanediyl))bis(4-oxobut-2-enoic acid)

Especificaciones y pureza

Moligand™, ≥98%(HPLC)

Mecanismos bioquímicos y fisiológicos

Potent and selective lysophosphatidic acid 2 (LPA2) receptor antagonist (IC50values are 8.9, 1230 and 27354 nM for LPA2, LPA3and LPA1receptors respectively, in a LPA-elicited calcium mobilization assay).H2L5186303 is specific antagonist of the lysophospha

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Tipo de acción

ANTAGONIST

Mecanismo de acción

Antagonist of LPA 2 receptor;Antagonist of LPA 3 receptor

Pureza

≥98%(HPLC)

Nombres e identificadores

• Pubchem Sid: 504772613
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504772613
• Sonrisas canónicas: C1=CC(=CC(=C1)OC2=CC=C(C=C2)NC(=O)C=CC(=O)O)OC3=CC=C(C=C3)NC(=O)C=CC(=O)O
• IUPAC Name: (Z)-4-[4-[3-[4-[[(Z)-3-carboxyprop-2-enoyl]amino]phenoxy]phenoxy]anilino]-4-oxobut-2-enoic acid
• InChIKey: HZFPOTBCYPWQSH-DZDAAMPGSA-N
• INCHI: 1S/C26H20N2O8/c29-23(12-14-25(31)32)27-17-4-8-19(9-5-17)35-21-2-1-3-22(16-21)36-20-10-6-18(7-11-20)28-24(30)13-15-26(33)34/h1-16H,(H,27,29)(H,28,30)(H,31,32)(H,33,34)/b14-12-,15-13-
• Isómeros SMILES: C1=CC(=CC(=C1)OC2=CC=C(C=C2)NC(=O)/C=C\C(=O)O)OC3=CC=C(C=C3)NC(=O)/C=C\C(=O)O
• WGK Alemania: 3
• Peso molecular: 488.45
• Reaxy-Rn: 24315787
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24315787&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Diphenylethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Diphenylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylethers
• Alternative Parents: Diarylethers Anilides Phenoxy compounds Phenol ethers N-arylamides Dicarboxylic acids and derivatives Secondary carboxylic acid amides Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylether - Diaryl ether - Anilide - Phenoxy compound - Phenol ether - N-arylamide - Dicarboxylic acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Carboxylic acid - Ether - Organic oxide - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group.
• 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

Objetivos asociados (humanos)

LPAR3 Tchem Lysophosphatidic acid receptor 3 (0 Activities)

Discover Target: LPAR3

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

LPAR2 Tchem Lysophosphatidic acid receptor 2 (0 Activities)

Discover Target: LPAR2

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

Propiedades químicas y físicas

• Solubilidad: Solvent:DMSO, Max Conc. mg/mL: 48.84, Max Conc. mM: 100
• Peso molecular: 488.400 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 10
• Exact Mass: 488.122 Da
• Monoisotopic Mass: 488.122 Da
• Topological Polar Surface Area: 151.000 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 760.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 1