arpromidine - Moligand™ , Antagonist of H 1 receptor;Agonist of H 2 receptor, CAS No.106669-71-0, Antagonist of H 1 receptor;Agonist of H 2 receptor

CAS: 106669-71-0 Cat. No.: A607738 PubChem CID: 65895

GRADE & PURITY Moligand™

Synonyms

1-[3-(4-fluorophenyl)-3-pyridin-2-ylpropyl]-2-[3-(3H-imidazol-4-yl)propyl]guanidine | NSC_65895 | N-[3-(4-Fluorophenyl)-3-(pyridin-2-yl)propyl]-N''-[3-(1H-imidazol-5-yl)propyl]guanidine | (+/-)-1-(3-(P-FLUOROPHENYL)-3-(2-PYRIDYL)PROPYL)-3-(3-IMIDAZOL-4-YL

Storage

Room temperature

Specifications

Synonymes

1-[3-(4-fluorophenyl)-3-pyridin-2-ylpropyl]-2-[3-(3H-imidazol-4-yl)propyl]guanidine | NSC_65895 | N-[3-(4-Fluorophenyl)-3-(pyridin-2-yl)propyl]-N''-[3-(1H-imidazol-5-yl)propyl]guanidine | (+/-)-1-(3-(P-FLUOROPHENYL)-3-(2-PYRIDYL)PROPYL)-3-(3-IMIDAZOL-4-YL

Spécifications et pureté

Moligand™

Conditions de stockage de stockage

Room temperature

Grade

Moligand™

Type d'action

AGONIST, ANTAGONIST

Mécanisme d'action

Antagonist of H 1 receptor;Agonist of H 2 receptor

Noms et identifiants

• Sourires canoniques: C1=CC=NC(=C1)C(CCNC(=NCCCC2=CN=CN2)N)C3=CC=C(C=C3)F
• IUPAC Name: 1-[3-(4-fluorophenyl)-3-pyridin-2-ylpropyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine
• InChIKey: KZZIVOLMJPSDEP-UHFFFAOYSA-N
• INCHI: 1S/C21H25FN6/c22-17-8-6-16(7-9-17)19(20-5-1-2-11-25-20)10-13-27-21(23)26-12-3-4-18-14-24-15-28-18/h1-2,5-9,11,14-15,19H,3-4,10,12-13H2,(H,24,28)(H3,23,26,27)
• Isomères SMILES: C1=CC=NC(=C1)C(CCNC(=NCCCC2=CN=CN2)N)C3=CC=C(C=C3)F
• CAS alternatif: 106669-71-0
• PubChem CID: 65895
• Termes d'entrée MeSH: arpromidine;N(1)-(3-(4-fluorophenyl)-3-pyridine-2-ylpropyl)-N(2)-(3-(1H-imidazol-4-yl)propyl)guanidine

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorobenzenes
• Alternative Parents: Pyridines and derivatives Aryl fluorides Imidazoles Heteroaromatic compounds Guanidines Propargyl-type 1,3-dipolar organic compounds Carboximidamides Azacyclic compounds Organopnictogen compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Fluorobenzene - Aryl fluoride - Aryl halide - Pyridine - Azole - Heteroaromatic compound - Imidazole - Guanidine - Carboximidamide - Organic 1,3-dipolar compound - Organoheterocyclic compound - Azacycle - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring.
• 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)

HRH2 Tclin Histamine H2 receptor (0 Activities)

Discover Target: HRH2

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

HRH1 Tclin Histamine H1 receptor (1 Activities)

Discover Target: HRH1

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

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: 380.500 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 380.212 Da
• Monoisotopic Mass: 380.212 Da
• Topological Polar Surface Area: 92.000 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 466.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• 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

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.

How should this product be stored?

Store at room temperature.

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

The CAS Number is 106669-71-0. InChIKey KZZIVOLMJPSDEP-UHFFFAOYSA-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.