2-chloro-6-[(2R)-2-hydroxy-3-[(2S)-2-(phenylmethyl)pyrrolidin-1-yl]propoxy]benzonitrile - Moligand™ , Antagonist of CaS receptor, CAS No.C609525, Antagonist of CaS receptor

CAS: C609525 Cat. No.: C609525 PubChem CID: 11710462

GRADE & PURITY Moligand™

Synonyms

2-benzylpyrridine-substituted aryloxypropanol analogue | compound (S)-3h

Storage

Room temperature

Specifications

Synonyms

2-benzylpyrridine-substituted aryloxypropanol analogue | compound (S)-3h

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

ANTAGONIST

Mechanism of action

Antagonist of CaS receptor

Names and Identifiers

• Canonical Smiles: N#Cc1c(cccc1Cl)OC[C@@H](CN1CCC[C@H]1Cc1ccccc1)O
• IUPAC Name: 2-chloro-6-[(2R)-2-hydroxy-3-[(2S)-2-(phenylmethyl)pyrrolidin-1-yl]propoxy]benzonitrile
• InChIKey: HSTMYWDURDPUMY-ZWKOTPCHSA-N
• INCHI: 1S/C21H23ClN2O2/c22-20-9-4-10-21(19(20)13-23)26-15-18(25)14-24-11-5-8-17(24)12-16-6-2-1-3-7-16/h1-4,6-7,9-10,17-18,25H,5,8,11-12,14-15H2/t17-,18+/m0/s1
• Isomeric SMILES: C1C[C@H](N(C1)C[C@H](COC2=C(C(=CC=C2)Cl)C#N)O)CC3=CC=CC=C3
• PubChem CID: 11710462

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Benzonitriles Chlorobenzenes Aralkylamines Alkyl aryl ethers N-alkylpyrrolidines Aryl chlorides Trialkylamines Secondary alcohols 1,2-aminoalcohols Nitriles Azacyclic compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenoxy compound - Benzonitrile - Phenol ether - Alkyl aryl ether - Aralkylamine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - N-alkylpyrrolidine - Pyrrolidine - 1,2-aminoalcohol - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Azacycle - Organoheterocyclic compound - Ether - Carbonitrile - Nitrile - Organic oxygen compound - Organooxygen compound - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Cyanide - Organonitrogen compound - Amine - Organohalogen compound - Organochloride - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with 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

Associated Targets(Human)

CASR Tclin Extracellular calcium-sensing receptor (1 Activities)

Discover Target: CASR

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

Mechanisms of Action