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· · COA & SDS Disponibile per ogni prodotto · Spedizione lo stesso giorno su articoli in magazzino ER 50891 - ≥99%(HPLC) , CAS No.187400-85-7
Synonyms
BDBM50099474 | J-012065 | HY-108531 | 4-[5-[8-(1-Methylethyl)-4-phenyl-2-quinolinyl]-1H-pyrrolo-2-benzoic acid | AKOS024457818 | NCGC00370963-01 | SCHEMBL6302928 | 4-[5-(8-Isopropyl-4-phenyl-quinolin-2-yl)-1H-pyrrol-2-yl]-benzoic acid | 4-[5-(4-phenyl-8-p
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Why this grade ≥99%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Normal Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Sinonimi
BDBM50099474 | J-012065 | HY-108531 | 4-[5-[8-(1-Methylethyl)-4-phenyl-2-quinolinyl]-1H-pyrrolo-2-benzoic acid | AKOS024457818 | NCGC00370963-01 | SCHEMBL6302928 | 4-[5-(8-Isopropyl-4-phenyl-quinolin-2-yl)-1H-pyrrol-2-yl]-benzoic acid | 4-[5-(4-phenyl-8-p
Specifiche e purezza
≥99%(HPLC)
Meccanismi biochimici e fisiologici
Antagonist of RARαreceptors (IC50= 31.2 nM). Displays selective affinity for RARα(relative IC50values are 1.8, 432 and 535 nM for RARα, RARγand RARβrespectively).
Condizioni di conservazione di stoccaggio
Room temperature
Nomi e identificatori Sorrisi canonici
CC(C)C1=CC=CC2=C1N=C(C=C2C3=CC=CC=C3)C4=CC=C(N4)C5=CC=C(C=C5)C(=O)O
IUPAC Name
4-[5-(4-phenyl-8-propan-2-ylquinolin-2-yl)-1H-pyrrol-2-yl]benzoic acid
InChIKey
LSGNKLDHMQVTEK-UHFFFAOYSA-N
INCHI
1S/C29H24N2O2/c1-18(2)22-9-6-10-23-24(19-7-4-3-5-8-19)17-27(31-28(22)23)26-16-15-25(30-26)20-11-13-21(14-12-20)29(32)33/h3-18,30H,1-2H3,(H,32,33)
Isomeri SMILES
CC(C)C1=CC=CC2=C1N=C(C=C2C3=CC=CC=C3)C4=CC=C(N4)C5=CC=C(C=C5)C(=O)O
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8945498&ln=
Documentazione 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Phenylpropanoids and polyketides Classe Diarylheptanoids Subclass Linear diarylheptanoids Intermediate Tree Nodes Not available Direct Parent Linear diarylheptanoids Alternative Parents Phenylquinolines Phenylpyridines Phenylpyrroles Cumenes Benzoic acids Benzoyl derivatives Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Linear 1,7-diphenylheptane skeleton - Phenylquinoline - 4-phenylpyridine - 2-phenylpyrrole - Quinoline - Benzoic acid or derivatives - Benzoic acid - Cumene - Benzoyl - Monocyclic benzene moiety - Benzenoid - Substituted pyrrole - Pyridine - Heteroaromatic compound - Pyrrole - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound Descrizione This compound belongs to the class of organic compounds known as linear diarylheptanoids. These are diarylheptanoids with an open heptane chain. The two aromatic rings are linked only by the heptane chain. 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.
Struttura 3D Obiettivi associati (umani) Obiettivi associati (non umani) Meccanismi d'azione Certificati (CoA, COO, BSE/TSE e tabella di analisi) Proprietà chimiche e fisiche Solubilità Solvent:DMSO, Max Conc. mg/mL: 43.25, Max Conc. mM: 100 Peso molecolare 432.500 g/mol XLogP3 6.600 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 5 Exact Mass 432.184 Da Monoisotopic Mass 432.184 Da Topological Polar Surface Area 66.000 Ų Heavy Atom Count 33 Formal Charge 0 Complexity 652.000 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
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