BIBO3304 - Moligand™, ≥98% , Antagonist of Y 1 receptor, CAS No.191868-13-0, Antagonist of Y 1 receptor

CAS: 191868-13-0 Cat. No.: B608059 Formule: C₂₉H₃₅N₇O₃ Poids moléculaire: 529.6

GRADE & PURITY Moligand™, ≥98%

Synonyms

(R)-2-(2,2-Diphenylacetamido)-5-guanidino-N-(4-(ureidomethyl)benzyl)pentanamide | BIBO3304 | BENZENEACETAMIDE, N-((1R)-1-((((4-(((AMINOCARBONYL)AMINO)METHYL)PHENYL)METHYL)AMINO)CARBONYL)-4-((AMINOIMINOMETHYL)AMINO)BUTYL)-.ALPHA.-PHENYL- | BENZENEACETAMIDE

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

BIBO3304 is a nonpeptide neuropeptide Y Y1 receptor antagonist. BIBO3304 displays subnanomolar affinity for both the human and the rat Y1 receptor, with IC50 values of 0.38 nM and 0.72 nM, respectively. BIBO3304 significantly inhibits food intake induced by application of NPY or by fasting.

Specifications

Synonymes

(R)-2-(2,2-Diphenylacetamido)-5-guanidino-N-(4-(ureidomethyl)benzyl)pentanamide | BIBO3304 | BENZENEACETAMIDE, N-((1R)-1-((((4-(((AMINOCARBONYL)AMINO)METHYL)PHENYL)METHYL)AMINO)CARBONYL)-4-((AMINOIMINOMETHYL)AMINO)BUTYL)-.ALPHA.-PHENYL- | BENZENEACETAMIDE

Spécifications et pureté

Moligand™, ≥98%

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Moligand™

Type d'action

ANTAGONIST

Mécanisme d'action

Antagonist of Y 1 receptor

Pureté

≥98%

Noms et identifiants

• Sourires canoniques: C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC(CCCN=C(N)N)C(=O)NCC3=CC=C(C=C3)CNC(=O)N
• IUPAC Name: (2R)-N-[[4-[(carbamoylamino)methyl]phenyl]methyl]-5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)amino]pentanamide
• InChIKey: TVMJSGGZULFVCZ-XMMPIXPASA-N
• INCHI: 1S/C29H35N7O3/c30-28(31)33-17-7-12-24(26(37)34-18-20-13-15-21(16-14-20)19-35-29(32)39)36-27(38)25(22-8-3-1-4-9-22)23-10-5-2-6-11-23/h1-6,8-11,13-16,24-25H,7,12,17-19H2,(H,34,37)(H,36,38)(H4,30,31,33)(H3,32,35,39)/t24-/m1/s1
• Isomères SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)N[C@H](CCCN=C(N)N)C(=O)NCC3=CC=C(C=C3)CNC(=O)N
• CAS alternatif: 191868-14-1；2310085-85-7
• Poids moléculaire: 529.6

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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 N-acyl amines Ureas 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 - Fatty acyl - Fatty amide - N-acyl-amine - Carboxamide group - Guanidine - Urea - 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

Cibles associées (humaines)

NPY1R Tchem Neuropeptide Y receptor type 1 (3 Activities)

Discover Target: NPY1R

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

NPY4R Tchem Neuropeptide Y receptor type 4 (1071 Activities)

Discover Target: NPY4R

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

NPY2R Tchem Neuropeptide Y receptor type 2 (3731 Activities)

Discover Target: NPY2R

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Cibles associées (non humaines)

Npy1r Neuropeptide Y receptor type 1 (8 Activities)

Discover Target: Npy1r

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 529.600 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 13
• Exact Mass: 529.28 Da
• Monoisotopic Mass: 529.28 Da
• Topological Polar Surface Area: 178.000 Ų
• Heavy Atom Count: 39
• Formal Charge: 0
• Complexity: 779.000
• 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