JB 98064 - Moligand™ , Antagonist of H 3 receptor, CAS No.485812-42-8, Antagonist of H 3 receptor

CAS: 485812-42-8 Cat. No.: J611226 PubChem CID: 10810249

GRADE & PURITY Moligand™

Synonyms

AKOS040752169 | 1-(4-chlorobenzyl)-1-(7-(pyrrolidin-1-yl)heptyl)guanidine | N-(4-Chloro-benzyl)-N-(7-pyrrolidin-1-yl-heptyl)-guanidine | N-(4-chlorobenzyl)-N-(7-pyrrolidin-1-yl-heptyl)-guanidine | Guanidine, N-((4-chlorophenyl)methyl)-N-(7-(1-pyrrolidinyl

Storage

Room temperature

Specifications

Synonyms

AKOS040752169 | 1-(4-chlorobenzyl)-1-(7-(pyrrolidin-1-yl)heptyl)guanidine | N-(4-Chloro-benzyl)-N-(7-pyrrolidin-1-yl-heptyl)-guanidine | N-(4-chlorobenzyl)-N-(7-pyrrolidin-1-yl-heptyl)-guanidine | Guanidine, N-((4-chlorophenyl)methyl)-N-(7-(1-pyrrolidinyl

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

ANTAGONIST

Mechanism of action

Antagonist of H 3 receptor

Names and Identifiers

• Canonical Smiles: Clc1ccc(cc1)CN(C(=N)N)CCCCCCCN1CCCC1
• IUPAC Name: 1-[(4-chlorophenyl)methyl]-1-(7-pyrrolidin-1-ylheptyl)guanidine
• InChIKey: ZRIVDXCYPBUSKL-UHFFFAOYSA-N
• INCHI: 1S/C19H31ClN4/c20-18-10-8-17(9-11-18)16-24(19(21)22)15-5-3-1-2-4-12-23-13-6-7-14-23/h8-11H,1-7,12-16H2,(H3,21,22)
• Isomeric SMILES: C1CCN(C1)CCCCCCCN(CC2=CC=C(C=C2)Cl)C(=N)N
• PubChem CID: 10810249

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Chlorobenzenes
• Alternative Parents: N-alkylpyrrolidines Aryl chlorides Trialkylamines Guanidines Carboximidamides Azacyclic compounds Organochlorides Imines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Chlorobenzene - Aryl chloride - Aryl halide - N-alkylpyrrolidine - Pyrrolidine - Guanidine - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organoheterocyclic compound - Carboximidamide - Organohalogen compound - Imine - Amine - Hydrocarbon derivative - Organochloride - Organonitrogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.
• 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)

HRH3 Tclin Histamine H3 receptor (2 Activities)

Discover Target: HRH3

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

SIGMAR1 Tclin Sigma non-opioid intracellular receptor 1 (1 Activities)

Discover Target: SIGMAR1

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

HRH3 Tclin Histamine H3 receptor (10389 Activities)

Discover Target: HRH3

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

Mechanisms of Action