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· · COA & SDS disponible pour chaque produit · Expédition le jour même sur les articles en stock BRL 37344 - Moligand™ , Agonist of β 3-adrenoceptor, CAS No.116049-78-6, Agonist of β 3-adrenoceptor
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. Synonyms
(BRL 37,344)(4-{2-[2-(3-Chloro-phenyl)-2-hydroxy-ethylamino]-propyl}-phenoxy)-acetic acid | 6H-Pyrido[2,3-b][1,4]benzodiazepin-6-one, 11-[[2-[(diethylamino)methyl]-1-piperidinyl]acetyl]-5,11-dihydro- [CAS] | BRL37344 | Brl-37344 | (R*, R*) (4-{2-[2-(3-Chl
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Why this grade Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships 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 Synonymes
(BRL 37,344)(4-{2-[2-(3-Chloro-phenyl)-2-hydroxy-ethylamino]-propyl}-phenoxy)-acetic acid | 6H-Pyrido[2,3-b][1,4]benzodiazepin-6-one, 11-[[2-[(diethylamino)methyl]-1-piperidinyl]acetyl]-5,11-dihydro- [CAS] | BRL37344 | Brl-37344 | (R*, R*) (4-{2-[2-(3-Chl
Spécifications et pureté
Moligand™
Conditions de stockage de stockage
Room temperature
Mécanisme d'action
Agonist of β 3-adrenoceptor
Noms et identifiants Sourires canoniques
C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O
IUPAC Name
2-[4-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenoxy]acetic acid
InChIKey
ZGGNJJJYUVRADP-ACJLOTCBSA-N
INCHI
1S/C19H22ClNO4/c1-13(21-11-18(22)15-3-2-4-16(20)10-15)9-14-5-7-17(8-6-14)25-12-19(23)24/h2-8,10,13,18,21-22H,9,11-12H2,1H3,(H,23,24)/t13-,18+/m1/s1
Isomères SMILES
C[C@H](CC1=CC=C(C=C1)OCC(=O)O)NC[C@@H](C2=CC(=CC=C2)Cl)O
Documentation 📋 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 Benzenoids Classe Benzene and substituted derivatives Subclass Phenoxyacetic acid derivatives Intermediate Tree Nodes Not available Direct Parent Phenoxyacetic acid derivatives Alternative Parents Amphetamines and derivatives Phenylpropanes Phenoxy compounds Phenol ethers Alkyl aryl ethers Chlorobenzenes Aralkylamines Aryl chlorides Secondary alcohols 1,2-aminoalcohols Amino acids Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Aromatic alcohols Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organopnictogen compounds Molecular Framework Aromatic homomonocyclic compounds Substituents Phenoxyacetate - Amphetamine or derivatives - Phenylpropane - Phenoxy compound - Phenol ether - Alkyl aryl ether - Aralkylamine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - 1,2-aminoalcohol - Amino acid or derivatives - Amino acid - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Secondary amine - Secondary aliphatic amine - Ether - Monocarboxylic acid or derivatives - Amine - Organic oxygen compound - Alcohol - Organic nitrogen compound - Carbonyl group - Aromatic alcohol - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative. 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.
Structure 3D Cibles associées (humaines) Cibles associées (non humaines) Mécanismes d'action Certificats (CoA, COO, BSE/TSE et tableau d'analyse) Propriétés chimiques et physiques Poids moléculaire 363.800 g/mol XLogP3 0.900 Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 9 Exact Mass 363.124 Da Monoisotopic Mass 363.124 Da Topological Polar Surface Area 78.800 Ų Heavy Atom Count 25 Formal Charge 0 Complexity 401.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 2 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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