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

CAS: 221697-09-2 Cat. No.: Y651694 Molecular Weight: 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

Overview

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

Form:Solid

IC50& Target:Neuropeptide Y1 receptor

Specifications

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)-

Specifications & Purity

≥95%

Biochemical and Physiological Mechanisms

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

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Canonical Smiles: 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
• Isomeric 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
• Alternate CAS: 221697-09-2
• PubChem CID: 5311439
• MeSH Entry Terms: (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
• Molecular Weight: 487.59

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Chemical and Physical Properties

• Molecular Weight: 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