Y1 receptor antagonist 1 - ≥95% , CAS No.221697-09-2

CAS: 221697-09-2 Cat. No.: Y651694 Peso molecular: 487.59 PubChem CID: 5311439

GRADE & PURITY ≥95%

Synonyms

SCHEMBL1593464 | Benzeneacetamide, N-((1R)-4-((aminoiminomethyl)amino)-1-((((1R)-1-(4-hydroxyphenyl)ethyl)amino)carbonyl)butyl)-alpha-phenyl- | Y1 receptor antagonist 1 | 7NCK567YKQ | Ar-H040922 freebase | HY-101704 | MS-29063 | BENZENEACETAMIDE, N-((1R)-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Y1 receptor antagonist 1 (H 409-22 isomer) is a neuropeptide Y1 receptor antagonist.

Form:Solid

IC50& Target:Neuropeptide Y1 receptor

Specifications

Sinónimos

SCHEMBL1593464 | Benzeneacetamide, N-((1R)-4-((aminoiminomethyl)amino)-1-((((1R)-1-(4-hydroxyphenyl)ethyl)amino)carbonyl)butyl)-alpha-phenyl- | Y1 receptor antagonist 1 | 7NCK567YKQ | Ar-H040922 freebase | HY-101704 | MS-29063 | BENZENEACETAMIDE, N-((1R)-

Especificaciones y pureza

≥95%

Mecanismos bioquímicos y fisiológicos

Y1 receptor antagonist 1 (H 409-22 isomer) is a neuropeptide Y1 receptor antagonist.

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: CC(C1=CC=C(C=C1)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3
• IUPAC Name: (2R)-5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)amino]-N-[(1R)-1-(4-hydroxyphenyl)ethyl]pentanamide
• InChIKey: AOUQZUZEYSDMEZ-NTKDMRAZSA-N
• INCHI: 1S/C28H33N5O3/c1-19(20-14-16-23(34)17-15-20)32-26(35)24(13-8-18-31-28(29)30)33-27(36)25(21-9-4-2-5-10-21)22-11-6-3-7-12-22/h2-7,9-12,14-17,19,24-25,34H,8,13,18H2,1H3,(H,32,35)(H,33,36)(H4,29,30,31)/t19-,24-/m1/s1
• Isómeros SMILES: C[C@H](C1=CC=C(C=C1)O)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3
• CAS alternativo: 221697-09-2
• PubChem CID: 5311439
• Términos de entrada MeSH: (2R)-5-((amino(imino)methyl)amino)-2-((2,2-diphenylacetyl)amino)-N-((1R)-1-(4-hydroxyphenyl)ethyl)pentanamide;AR-H0409-22;H 409-22;H 510-45
• Peso molecular: 487.59

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: N-acyl-alpha amino acids and derivatives Alpha amino acid amides Phenylacetamides 1-hydroxy-2-unsubstituted benzenoids N-acyl amines Secondary carboxylic acid amides Guanidines Propargyl-type 1,3-dipolar organic compounds Carboximidamides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylmethane - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Phenylacetamide - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Fatty acyl - Fatty amide - N-acyl-amine - Carboxamide group - Guanidine - Secondary carboxylic acid amide - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• 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

Propiedades químicas y físicas

• Peso molecular: 487.600 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 11
• Exact Mass: 487.258 Da
• Monoisotopic Mass: 487.258 Da
• Topological Polar Surface Area: 143.000 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 688.000
• 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