WIN 64338 - Moligand™ , Antagonist of B 2 receptor, CAS No.151039-63-3, Antagonist of B 2 receptor

CAS: 151039-63-3 Cat. No.: W614847 PubChem CID: 132927

GRADE & PURITY Moligand™

Synonyms

Q27089226 | Win 64338 | Win-64338 | tributyl-[[4-[[(2S)-2-[(N,N'-dicyclohexylcarbamimidoyl)amino]-3-naphthalen-2-ylpropanoyl]amino]phenyl]methyl]phosphanium;chloride | ((4-((2-((Bis(cyclohexylamino)methylene)amino)-3-(2-naphthyl)-1-oxopropyl)amino)phenyl)

Storage

Room temperature

Specifications

Synonyms

Q27089226 | Win 64338 | Win-64338 | tributyl-[[4-[[(2S)-2-[(N, N'-dicyclohexylcarbamimidoyl)amino]-3-naphthalen-2-ylpropanoyl]amino]phenyl]methyl]phosphanium;chloride | ((4-((2-((Bis(cyclohexylamino)methylene)amino)-3-(2-naphthyl)-1-oxopropyl)amino)phenyl)

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

ANTAGONIST

Mechanism of action

Antagonist of B 2 receptor

Names and Identifiers

• Canonical Smiles: CCCC[P+](Cc1ccc(cc1)NC(=O)[C@H](Cc1ccc2c(c1)cccc2)NC(=NC1CCCCC1)NC1CCCCC1)(CCCC)CCCC.[Cl-]
• IUPAC Name: tributyl-[[4-[[(2S)-2-[(N,N'-dicyclohexylcarbamimidoyl)amino]-3-naphthalen-2-ylpropanoyl]amino]phenyl]methyl]phosphanium chloride
• InChIKey: MJWYKJXHACNJCD-SXWPEPABSA-N
• INCHI: 1S/C45H67N4OP.ClH/c1-4-7-30-51(31-8-5-2,32-9-6-3)35-36-25-28-42(29-26-36)46-44(50)43(34-37-24-27-38-18-16-17-19-39(38)33-37)49-45(47-40-20-12-10-13-21-40)48-41-22-14-11-15-23-41;/h16-19,24-29,33,40-41,43H,4-15,20-23,30-32,34-35H2,1-3H3,(H2-,46,47,48,49,50);1H/t43-;/m0./s1
• Isomeric SMILES: CCCC[P+](CCCC)(CCCC)CC1=CC=C(C=C1)NC(=O)[C@H](CC2=CC3=CC=CC=C3C=C2)NC(=NC4CCCCC4)NC5CCCCC5.[Cl-]
• PubChem CID: 132927

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acid amides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acid amides
• Alternative Parents: Naphthalenes Anilides N-arylamides Fatty amides Tetraalkylphosphonium compounds Secondary carboxylic acid amides Guanidines Propargyl-type 1,3-dipolar organic compounds Carboximidamides Organopnictogen compounds Organic zwitterions Organic oxides Organic chloride salts Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Alpha-amino acid amide - Naphthalene - Anilide - N-arylamide - Monocyclic benzene moiety - Fatty amide - Fatty acyl - Benzenoid - Tetraalkylphosphonium compound - Carboxamide group - Guanidine - Secondary carboxylic acid amide - Carboximidamide - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organopnictogen compound - Organic salt - Organophosphorus compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic chloride salt - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic zwitterion - Organic oxide - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids.
• 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

Associated Targets(Human)

BDKRB2 Tclin B2 bradykinin receptor (1 Activities)

Discover Target: BDKRB2

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

BDKRB2 Tclin Bradykinin B2 receptor (3970 Activities)

Discover Target: BDKRB2

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

Mechanisms of Action