Enerisant - Moligand™, ≥98% , Antagonist of H 3 receptor, CAS No.1152747-82-4, Antagonist of H 3 receptor

CAS: 1152747-82-4 Cat. No.: E610131 Formula: C₂₂H₃₀N₄O₃ Peso molecolare: 398.50 PubChem CID: 42601503

GRADE & PURITY Moligand™, ≥98%

Synonyms

4-{[1-(4-{3-[(2R)-2-methylpyrrolidin-1-yl]propoxy}phenyl)-1H-pyrazol-4-yl]carbonyl}morpholine | [1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyrazol-4-yl]-morpholin-4-ylmethanone | TS-091

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

Enerisant (TS-091) is a potent, highly selective, competitive active histamine H3 receptor antagonist/inverse agonist with IC50s of 2.89 nM and 14.5 nM against human and rat histamine H3 receptors, respectively.

Specifications

Sinonimi

4-{[1-(4-{3-[(2R)-2-methylpyrrolidin-1-yl]propoxy}phenyl)-1H-pyrazol-4-yl]carbonyl}morpholine | [1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyrazol-4-yl]-morpholin-4-ylmethanone | TS-091

Specifiche e purezza

Moligand™, ≥98%

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Grado

Moligand™

Tipo di azione

ANTAGONIST

Meccanismo d'azione

Antagonist of H 3 receptor

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 528764402
• Sorrisi canonici: C[C@@H]1CCCN1CCCOc1ccc(cc1)n1ncc(c1)C(=O)N1CCOCC1
• IUPAC Name: [1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyrazol-4-yl]-morpholin-4-ylmethanone
• InChIKey: IABXVJILZYNSTM-GOSISDBHSA-N
• INCHI: 1S/C22H30N4O3/c1-18-4-2-9-24(18)10-3-13-29-21-7-5-20(6-8-21)26-17-19(16-23-26)22(27)25-11-14-28-15-12-25/h5-8,16-18H,2-4,9-15H2,1H3/t18-/m1/s1
• Isomeri SMILES: C[C@@H]1CCCN1CCCOC2=CC=C(C=C2)N3C=C(C=N3)C(=O)N4CCOCC4
• PubChem CID: 42601503
• Peso molecolare: 398.50

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Azoles
      • Subclass Pyrazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Azoles
• Subclass: Pyrazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrazoles
• Alternative Parents: Morpholine carboxylic acids and derivatives Pyrazole-4-carboxamides Phenoxy compounds Phenol ethers Alkyl aryl ethers N-alkylpyrrolidines Vinylogous amides Heteroaromatic compounds Tertiary carboxylic acid amides Trialkylamines Amino acids and derivatives Dialkyl ethers Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpyrazole - Morpholine-4-carboxylic acid or derivatives - Phenoxy compound - Pyrazole-4-carboxamide - Phenol ether - Alkyl aryl ether - Oxazinane - Monocyclic benzene moiety - Morpholine - Benzenoid - N-alkylpyrrolidine - Heteroaromatic compound - Vinylogous amide - Tertiary carboxylic acid amide - Pyrrolidine - Tertiary amine - Tertiary aliphatic amine - Carboxamide group - Amino acid or derivatives - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Azacycle - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl 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

Obiettivi associati (umani)

HRH3 Tclin Histamine H3 receptor (0 Activities)

Discover Target: HRH3

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

Proprietà chimiche e fisiche

• Peso molecolare: 398.500 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 398.232 Da
• Monoisotopic Mass: 398.232 Da
• Topological Polar Surface Area: 59.800 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 520.000
• 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