A331440 - Moligand™ , Antagonist of H 3 receptor, CAS No.392338-13-5, Antagonist of H 3 receptor

CAS: 392338-13-5 Cat. No.: A607290 Formule: C₂₂H₂₇N₃O Poids moléculaire: 349.5 PubChem CID: 9884746

GRADE & PURITY Moligand™

Synonyms

A 331440 | 4'-(3-((3R)-3-(Dimethylamino)pyrrolidinyl)propoxy)(1,1'-biphenyl)-4-carbonitrile | (R)-4'-(3-(3-(Dimethylamino)pyrrolidin-1-yl)propoxy)-[1,1'-biphenyl]-4-carbonitrile | (R)-4''-(3-(3-(dimethylamino)pyrrolidin-1-yl)propoxy)biphenyl-4-carbonitril

Storage

Room temperature

Specifications

Synonymes

A 331440 | 4'-(3-((3R)-3-(Dimethylamino)pyrrolidinyl)propoxy)(1,1'-biphenyl)-4-carbonitrile | (R)-4'-(3-(3-(Dimethylamino)pyrrolidin-1-yl)propoxy)-[1,1'-biphenyl]-4-carbonitrile | (R)-4''-(3-(3-(dimethylamino)pyrrolidin-1-yl)propoxy)biphenyl-4-carbonitril

Spécifications et pureté

Moligand™

Conditions de stockage de stockage

Room temperature

Grade

Moligand™

Type d'action

ANTAGONIST

Mécanisme d'action

Antagonist of H 3 receptor

Noms et identifiants

• Sourires canoniques: CN(C)C1CCN(C1)CCCOC2=CC=C(C=C2)C3=CC=C(C=C3)C#N
• IUPAC Name: 4-[4-[3-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]propoxy]phenyl]benzonitrile
• InChIKey: FXIPXWLVYIHFEP-OAQYLSRUSA-N
• INCHI: 1S/C22H27N3O/c1-24(2)21-12-14-25(17-21)13-3-15-26-22-10-8-20(9-11-22)19-6-4-18(16-23)5-7-19/h4-11,21H,3,12-15,17H2,1-2H3/t21-/m1/s1
• Isomères SMILES: CN(C)[C@@H]1CCN(C1)CCCOC2=CC=C(C=C2)C3=CC=C(C=C3)C#N
• PubChem CID: 9884746
• Poids moléculaire: 349.5

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenylcarbonitriles
• Alternative Parents: Phenoxy compounds Phenol ethers Benzonitriles Alkyl aryl ethers N-alkylpyrrolidines Trialkylamines Nitriles Azacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Biphenylcarbonitrile - Phenoxy compound - Benzonitrile - Phenol ether - Alkyl aryl ether - N-alkylpyrrolidine - Pyrrolidine - Tertiary amine - Tertiary aliphatic amine - Ether - Carbonitrile - Nitrile - Azacycle - Organoheterocyclic compound - Amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Cyanide - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as biphenylcarbonitriles. These are organic compounds containing an acetonitrile with one hydrogen replaced by a biphenyl group.
• 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)

HRH3 Tclin Histamine H3 receptor (4 Activities)

Discover Target: HRH3

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

HRH2 Tclin Histamine H2 receptor (5428 Activities)

Discover Target: HRH2

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

HRH1 Tclin Histamine H1 receptor (7573 Activities)

Discover Target: HRH1

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

Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 349.500 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 349.215 Da
• Monoisotopic Mass: 349.215 Da
• Topological Polar Surface Area: 39.500 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 455.000
• 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

Foire aux questions

How should this product be stored?

Store at room temperature.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 392338-13-5, the molecular formula is C22H27N3O, and the molecular weight is 349.5 g/mol. InChIKey FXIPXWLVYIHFEP-OAQYLSRUSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.