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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items ubrogepant - Moligand™ , Calcitonin gene-related peptide type 1 receptor antagonist, CAS No.1374248-77-7, Calcitonin gene-related peptide type 1 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
Ubrelvy (TN) | UNII-AD0O8X2QJR | SY001508 | A934103 | D10673 | Ubrogepant (USAN/INN) | Ubrogepant [USAN] | AKOS040742798 | DB15328 | AC-31965 | MS-30058 | UBROGEPANT [MI] | Q15632908 | BDBM361594 | Ubrogepantum | (6S)-N-[(3S,5S,6R)-6-Methyl-2-oxo-5-phenyl
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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
Ubrelvy (TN) | UNII-AD0O8X2QJR | SY001508 | A934103 | D10673 | Ubrogepant (USAN/INN) | Ubrogepant [USAN] | AKOS040742798 | DB15328 | AC-31965 | MS-30058 | UBROGEPANT [MI] | Q15632908 | BDBM361594 | Ubrogepantum | (6S)-N-[(3S,5S,6R)-6-Methyl-2-oxo-5-phenyl
Especificaciones y pureza
Moligand™
Condiciones de almacenamiento de almacenamiento
Room temperature
Mecanismo de acción
Calcitonin gene-related peptide type 1 receptor antagonist
Propiedades del producto Nombres e identificadores Sonrisas canónicas
CC1C(CC(C(=O)N1CC(F)(F)F)NC(=O)C2=CC3=C(CC4(C3)C5=C(NC4=O)N=CC=C5)N=C2)C6=CC=CC=C6
IUPAC Name
(3S)-N-[(3S,5S,6R)-6-methyl-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-carboxamide
InChIKey
DDOOFTLHJSMHLN-ZQHRPCGSSA-N
INCHI
1S/C29H26F3N5O3/c1-16-20(17-6-3-2-4-7-17)11-22(26(39)37(16)15-29(30,31)32)35-25(38)19-10-18-12-28(13-23(18)34-14-19)21-8-5-9-33-24(21)36-27(28)40/h2-10,14,16,20,22H,11-13,15H2,1H3,(H,35,38)(H,33,36,40)/t16-,20-,22+,28+/m1/s1
Isómeros SMILES
C[C@@H]1[C@@H](C[C@@H](C(=O)N1CC(F)(F)F)NC(=O)C2=CC3=C(C[C@@]4(C3)C5=C(NC4=O)N=CC=C5)N=C2)C6=CC=CC=C6
CAS alternativo
1374248-77-7
Términos de entrada MeSH
1',2',5,7-tetrahydro-N-((3S,5S,6R)-6-methyl-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)-3-piperidinyl)-2'-oxo-, (6S)- spiro(6H-cyclopenta(b)pyridine-6,3'-(3H)pyrrolo(2,3-b)pyridine)-3-carboxamide;MK-1602;ubrelvy;ubrogepant
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 Organic acids and derivatives Clase Carboxylic acids and derivatives Subclass Amino acids, peptides, and analogues Intermediate Tree Nodes Amino acids and derivatives - Alpha amino acids and derivatives Direct Parent N-acyl-alpha amino acids and derivatives Alternative Parents Phenylpiperidines Pyridinecarboxylic acids and derivatives Pyrrolopyridines Delta lactams Piperidinones Imidolactams Benzene and substituted derivatives Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides Carbonyl compounds Molecular Framework Aromatic heteropolycyclic compounds Substituents N-acyl-alpha amino acid or derivatives - Phenylpiperidine - Pyridine carboxylic acid or derivatives - Pyrrolopyridine - Delta-lactam - Piperidinone - Monocyclic benzene moiety - Piperidine - Pyridine - Benzenoid - Imidolactam - Heteroaromatic compound - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Carboxamide group - Lactam - Azacycle - Organoheterocyclic compound - Carbonyl group - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Organic oxide - Alkyl halide - Hydrocarbon derivative - Alkyl fluoride - Aromatic heteropolycyclic compound Descripción This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom. 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) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Peso molecular 549.500 g/mol XLogP3 3.100 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 8 Rotatable Bond Count 4 Exact Mass 549.199 Da Monoisotopic Mass 549.199 Da Topological Polar Surface Area 104.000 Ų Heavy Atom Count 40 Formal Charge 0 Complexity 1000.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 4 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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