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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items saredutant - Moligand™ , Neurokinin 2 receptor antagonist, CAS No.142001-63-6, Neurokinin 2 receptor antagonist
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
N-[(2S)-4-(4-acetamido-4-phenylpiperidin-1-yl)-2-(3,4-dichlorophenyl)butyl]-N-methylbenzamide | [3H]SR48,968 | W-106163 | GTPL2111 | UNII-720U2QK8I5 | Benzamide, N-(4-(4-(acetylamino)-4-phenyl-1-piperidinyl)-2-(3,4-dichlorophenyl)butyl)-N-methyl-, (S)- |
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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 Sinónimos
N-[(2S)-4-(4-acetamido-4-phenylpiperidin-1-yl)-2-(3, 4-dichlorophenyl)butyl]-N-methylbenzamide | [3H]SR48, 968 | W-106163 | GTPL2111 | UNII-720U2QK8I5 | Benzamide, N-(4-(4-(acetylamino)-4-phenyl-1-piperidinyl)-2-(3, 4-dichlorophenyl)butyl)-N-methyl-, (S)- |
Especificaciones y pureza
Moligand™
Condiciones de almacenamiento de almacenamiento
Room temperature
Mecanismo de acción
Neurokinin 2 receptor antagonist
Propiedades del producto Nombres e identificadores Sonrisas canónicas CC(=O)NC1(CCN(CC1)CCC(CN(C)C(=O)C2=CC=CC=C2)C3=CC(=C(C=C3)Cl)Cl)C4=CC=CC=C4 IUPAC Name N-[(2S)-4-(4-acetamido-4-phenylpiperidin-1-yl)-2-(3,4-dichlorophenyl)butyl]-N-methylbenzamide InChIKey PGKXDIMONUAMFR-AREMUKBSSA-N INCHI 1S/C31H35Cl2N3O2/c1-23(37)34-31(27-11-7-4-8-12-27)16-19-36(20-17-31)18-15-26(25-13-14-28(32)29(33)21-25)22-35(2)30(38)24-9-5-3-6-10-24/h3-14,21,26H,15-20,22H2,1-2H3,(H,34,37)/t26-/m1/s1 Isómeros SMILES CC(=O)NC1(CCN(CC1)CC[C@H](CN(C)C(=O)C2=CC=CC=C2)C3=CC(=C(C=C3)Cl)Cl)C4=CC=CC=C4 CAS alternativo 142001-63-6 PubChem CID 104974 Términos de entrada MeSH (S)-N-methyl-N(4-(4-acetylamino-4-phenylpiperidino)-2-(3,4-dichlorophenyl)butyl)benzamide;saredutant;SR 48965;SR 48968;SR 48968C;SR-48968;SR-48968C;SR48968;SR48968C Peso molecular 552.5
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 Organoheterocyclic compounds Clase Piperidines Subclass Phenylpiperidines Intermediate Tree Nodes Not available Direct Parent Phenylpiperidines Alternative Parents Benzamides Dichlorobenzenes Benzoyl derivatives Aralkylamines Aryl chlorides Tertiary carboxylic acid amides Acetamides Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Organic oxides Organochlorides Carbonyl compounds Molecular Framework Aromatic heteromonocyclic compounds Substituents Phenylpiperidine - Benzamide - Benzoic acid or derivatives - Benzoyl - 1,2-dichlorobenzene - Chlorobenzene - Halobenzene - Aralkylamine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Acetamide - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Carboxamide group - Azacycle - Carboxylic acid derivative - Amine - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound Descripción This compound belongs to the class of organic compounds known as phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl 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.
Estructura 3D Objetivos asociados (humanos) Objetivos asociados (no humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Peso molecular 552.500 g/mol XLogP3 5.900 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 9 Exact Mass 551.211 Da Monoisotopic Mass 551.211 Da Topological Polar Surface Area 52.700 Ų Heavy Atom Count 38 Formal Charge 0 Complexity 760.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 1 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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Reconstitution Calculator Reseñas Need help choosing the grade? Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
View Moligand™ grade guide →
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