ASB 14780 - ≥98%(HPLC) , CAS No.1069046-00-9

CAS: 1069046-00-9 Cat. No.: A286909 Formula: C₃₁H₂₇NO₃•C₄H₁₁NO₃ Peso molecolare: 582.7

GRADE & PURITY ≥98%(HPLC)

Synonyms

3-(3-Phenethyl-1-(4-phenoxyphenyl)-1H-indol-5-yl)propanoic acid tris salt

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinonimi

3-(3-Phenethyl-1-(4-phenoxyphenyl)-1H-indol-5-yl)propanoic acid tris salt

Specifiche e purezza

≥98%(HPLC)

Meccanismi biochimici e fisiologici

Potent and selective cytosolic phospholipase A2alpha (cPLA2α) inhibitor (IC50= 20 nM). Selective for cPLA2α over secreted PLA2α (sPLA2α; exhibits no inhibition at 10 μM). Inhibits cPLA2α-dependent inflammatory responsesin vitroin guinea pig and human who

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Tipo di azione

INHIBITOR

Purezza

≥98%(HPLC)

Nomi e identificatori

• Sorrisi canonici: C1=CC=C(C=C1)CCC2=CN(C3=C2C=C(C=C3)CCC(=O)O)C4=CC=C(C=C4)OC5=CC=CC=C5
• IUPAC Name: 3-[1-(4-phenoxyphenyl)-3-(2-phenylethyl)indol-5-yl]propanoic acid
• InChIKey: AVSDLGNMCGTBHT-UHFFFAOYSA-N
• INCHI: 1S/C31H27NO3/c33-31(34)20-13-24-12-19-30-29(21-24)25(14-11-23-7-3-1-4-8-23)22-32(30)26-15-17-28(18-16-26)35-27-9-5-2-6-10-27/h1-10,12,15-19,21-22H,11,13-14,20H2,(H,33,34)
• Isomeri SMILES: C1=CC=C(C=C1)CCC2=CN(C3=C2C=C(C=C3)CCC(=O)O)C4=CC=C(C=C4)OC5=CC=CC=C5
• Peso molecolare: 582.7
• Reaxy-Rn: 19801304
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19801304&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Diphenylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylethers
• Alternative Parents: Indolyl carboxylic acids and derivatives Phenylpyrroles Diarylethers 3-alkylindoles Phenoxy compounds Phenol ethers Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Diphenylether - Indolyl carboxylic acid derivative - Diaryl ether - 1-phenylpyrrole - 3-alkylindole - Indole - Indole or derivatives - Phenol ether - Phenoxy compound - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Solubilità: Solvent:DMSO, Max Conc. mg/mL: 58.27, Max Conc. mM: 100
• Peso molecolare: 461.500 g/mol
• XLogP3: 7.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 461.199 Da
• Monoisotopic Mass: 461.199 Da
• Topological Polar Surface Area: 51.500 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 648.000
• 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

Domande frequenti

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 1069046-00-9, the molecular formula is C??H??NO??C?H??NO?, and the molecular weight is 582.7 g/mol. InChIKey AVSDLGNMCGTBHT-UHFFFAOYSA-N.

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.