Rimegepant sulfate - ≥99% , Calcitonin gene-related peptide type 1 receptor antagonist, CAS No.1374024-48-2, Calcitonin gene-related peptide type 1 receptor antagonist

CAS: 1374024-48-2 Cat. No.: R671275 Peso molecular: 1221.20 Número EC: 822-372-0 PubChem CID: 71586738

GRADE & PURITY ≥99%

Synonyms

Rimegepant sulfate | Nurtec odt (TN) | DTXSID60160174 | D10663 | UNII-1383NM3Q0H | DTXCID9082665 | 1-Piperidinecarboxylic acid, 4-(2,3-dihydro-2-oxo-1H-imidazo(4,5-b)pyridin-1-yl)-, (5S,6S,9R)-5-amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohept

Storage

Room temperature

Specifications

Sinónimos

Rimegepant sulfate | Nurtec odt (TN) | DTXSID60160174 | D10663 | UNII-1383NM3Q0H | DTXCID9082665 | 1-Piperidinecarboxylic acid, 4-(2, 3-dihydro-2-oxo-1H-imidazo(4, 5-b)pyridin-1-yl)-, (5S, 6S, 9R)-5-amino-6-(2, 3-difluorophenyl)-6, 7, 8, 9-tetrahydro-5H-cyclohept

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Room temperature

Tipo de acción

ANTAGONIST

Mecanismo de acción

Calcitonin gene-related peptide type 1 receptor antagonist

Pureza

≥99%

Nombres e identificadores

• Sonrisas canónicas: C1CC(C2=C(C=CC=N2)C(C1C3=C(C(=CC=C3)F)F)N)OC(=O)N4CCC(CC4)N5C6=C(NC5=O)N=CC=C6.C1CC(C2=C(C=CC=N2)C(C1C3=C(C(=CC=C3)F)F)N)OC(=O)N4CCC(CC4)N5C6=C(NC5=O)N=CC=C6.O.O.O.OS(=O)(=O)O
• IUPAC Name: [(5S,6S,9R)-5-amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl] 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate;sulfuric acid;trihydrate
• InChIKey: SOGUOEZRYKUOHR-CQZKMDJHSA-N
• INCHI: 1S/2C28H28F2N6O3.H2O4S.3H2O/c2*29-20-6-1-4-17(23(20)30)18-8-9-22(25-19(24(18)31)5-2-12-32-25)39-28(38)35-14-10-16(11-15-35)36-21-7-3-13-33-26(21)34-27(36)37;1-5(2,3)4;;;/h2*1-7,12-13,16,18,22,24H,8-11,14-15,31H2,(H,33,34,37);(H2,1,2,3,4);3*1H2/t2*18
• Isómeros SMILES: C1C[C@H](C2=C(C=CC=N2)[C@H]([C@@H]1C3=C(C(=CC=C3)F)F)N)OC(=O)N4CCC(CC4)N5C6=C(NC5=O)N=CC=C6.C1C[C@H](C2=C(C=CC=N2)[C@H]([C@@H]1C3=C(C(=CC=C3)F)F)N)OC(=O)N4CCC(CC4)N5C6=C(NC5=O)N=CC=C6.O.O.O.OS(=O)(=O)O
• PubChem CID: 71586738
• Peso molecular: 1221.20

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Imidazopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Imidazopyridines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Imidazopyridines
• Alternative Parents: Piperidinecarboxylic acids Aralkylamines Fluorobenzenes Pyridines and derivatives Organic sulfuric acids Aryl fluorides N-substituted imidazoles Carbamate esters Heteroaromatic compounds Ureas Tertiary amines Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Organofluorides
• Molecular Framework: Not available
• Substituents: Imidazopyridine - Piperidinecarboxylic acid - Fluorobenzene - Halobenzene - Aralkylamine - Sulfuric acid - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - N-substituted imidazole - Pyridine - Piperidine - Azole - Heteroaromatic compound - Imidazole - Carbamic acid ester - Organic sulfuric acid or derivatives - Urea - Tertiary amine - Azacycle - Amine - Organohalogen compound - Organic oxygen compound - Primary aliphatic amine - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organofluoride - Organonitrogen compound - Organooxygen compound - Primary amine - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as imidazopyridines. These are organic polycyclic compounds containing an imidazole ring fused to a pyridine ring. Imidazole is 5-membered ring consisting of three carbon atoms, and two nitrogen centers at the 1- and 3-positions. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center.
• 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