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 Fórmula: C₂₂H₂₁ClN₄O₄ 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)

Especificações e pureza

Moligand™, ≥98%(HPLC)

Mecanismos bioquímicos e fisiológicos

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

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Grau

Moligand™

Tipo de ação

AGONIST

Mecanismo de ação

Agonist of S1P 1 receptor;Agonist of S1P 5 receptor

Pureza

≥98%(HPLC)

Nomes e identificadores

Pubchem Sid

504769925

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504769925

Sorrisos canónicos

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)

SMILES isoméricas

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
    • Classe Indoles and derivatives
      • Subclass N-alkylindoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Descrição: 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

Alvos associados (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)

Propriedades químicas e físicas

• Solubilidade: 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

Perguntas frequentes

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1034688-30-6, the molecular formula is C22H21ClN4O4, and the molecular weight is 440.88 g/mol. InChIKey NFIGDBFIDKDNIG-UHFFFAOYSA-N.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.