GSK 2018682 - Moligand™, ≥98%(HPLC) , Agonist of S1P 1 receptor;Agonist of S1P 5 receptor, CAS No.1034688-30-6, Agonist of S1P 1 receptor;Agonist of S1P 5 receptor

CAS: 1034688-30-6 Cat. No.: G288907 Peso molecular: 440.88

GRADE & PURITY Moligand™, ≥98%(HPLC)

Synonyms

4-[4-[5-(5-chloro-6-propan-2-yloxypyridin-3-yl)-1,2,4-oxadiazol-3-yl]indol-1-yl]butanoic acid | EX-A1725 | AKOS037648495 | BCP31201 | GTPL11311 | BS-14195 | 1034688-30-6 | AC-30351 | Q27284898 | 1H-Indole-1-butanoic acid, 4-(5-(5-chloro-6-(1-methylethoxy)

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

4-[4-[5-(5-chloro-6-propan-2-yloxypyridin-3-yl)-1, 2, 4-oxadiazol-3-yl]indol-1-yl]butanoic acid | EX-A1725 | AKOS037648495 | BCP31201 | GTPL11311 | BS-14195 | 1034688-30-6 | AC-30351 | Q27284898 | 1H-Indole-1-butanoic acid, 4-(5-(5-chloro-6-(1-methylethoxy)

Especificaciones y pureza

Moligand™, ≥98%(HPLC)

Mecanismos bioquímicos y fisiológicos

Sphingosine-1-phosphate receptor 1 (S1P1) and 5 (S1P5) agonist.

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

AGONIST

Mecanismo de acción

Agonist of S1P 1 receptor;Agonist of S1P 5 receptor

Pureza

≥98%(HPLC)

Nombres e identificadores

• Pubchem Sid: 504769925
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769925
• Sonrisas canónicas: CC(C)OC1=C(C=C(C=N1)C2=NC(=NO2)C3=C4C=CN(C4=CC=C3)CCCC(=O)O)Cl
• IUPAC Name: 4-[4-[5-(5-chloro-6-propan-2-yloxypyridin-3-yl)-1,2,4-oxadiazol-3-yl]indol-1-yl]butanoic acid
• InChIKey: NFIGDBFIDKDNIG-UHFFFAOYSA-N
• INCHI: 1S/C22H21ClN4O4/c1-13(2)30-22-17(23)11-14(12-24-22)21-25-20(26-31-21)16-5-3-6-18-15(16)8-10-27(18)9-4-7-19(28)29/h3,5-6,8,10-13H,4,7,9H2,1-2H3,(H,28,29)
• Isómeros SMILES: CC(C)OC1=C(C=C(C=N1)C2=NC(=NO2)C3=C4C=CN(C4=CC=C3)CCCC(=O)O)Cl
• Peso molecular: 440.88
• Reaxy-Rn: 18396264
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18396264&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Indoles and derivatives
      • Subclass N-alkylindoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Indoles and derivatives
• Subclass: N-alkylindoles
• Intermediate Tree Nodes: Not available
• Direct Parent: N-alkylindoles
• Alternative Parents: Indoles Alkyl aryl ethers Substituted pyrroles Pyridines and derivatives Aryl chlorides Benzenoids 1,2,4-oxadiazoles Heteroaromatic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-alkylindole - Indole - Alkyl aryl ether - Aryl chloride - Aryl halide - Benzenoid - Substituted pyrrole - Pyridine - 1,2,4-oxadiazole - Heteroaromatic compound - Azole - Pyrrole - Oxadiazole - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Azacycle - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as n-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 1-position.
• 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)

S1PR5 Tclin Sphingosine 1-phosphate receptor 5 (0 Activities)

Discover Target: S1PR5

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

S1PR1 Tclin Sphingosine 1-phosphate receptor 1 (0 Activities)

Discover Target: S1PR1

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: 44.09, Max Conc. mM: 100
• Peso molecular: 440.900 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 440.125 Da
• Monoisotopic Mass: 440.125 Da
• Topological Polar Surface Area: 103.000 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 612.000
• 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