Eptapirone - ≥98% , CAS No.179756-58-2

CAS: 179756-58-2 Cat. No.: E412186 Fórmula: C₁₆H₂₃N₇O₂ Peso molecular: 345.40

GRAU & PUREZA ≥98%

Synonyms

4-Methyl-2-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)-as-triazine-3,5(2H,4H)-dione. | AS-74190 | ZB0032 | Eptapirone[inn] | 3,3-Bis(4-hydroxy-1-naphthyl)isobenzofuran-1(3H)-one | AKOS030525233 | CHEBI:177708 | DTXSID40170857 | EPTAPIRONE [WHO-DD] | EX-A12

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

Information

Eptapirone (F11440) is a potent, selective and high efficacy agonist of 5-HT1A receptor with marked anxiolytic and antidepressant potential.

Especificações

Sinónimos

4-Methyl-2-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)-as-triazine-3,5(2H,4H)-dione. | AS-74190 | ZB0032 | Eptapirone[inn] | 3,3-Bis(4-hydroxy-1-naphthyl)isobenzofuran-1(3H)-one | AKOS030525233 | CHEBI:177708 | DTXSID40170857 | EPTAPIRONE [WHO-DD] | EX-A12

Especificações e pureza

≥98%

Mecanismos bioquímicos e fisiológicos

Eptapirone (F11440) is a potent, selective and high efficacy agonist of 5-HT1A receptor with marked anxiolytic and antidepressant potential.

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Tipo de ação

AGONIST

Pureza

≥98%

Nomes e identificadores

Sorrisos canónicos

CN1C(=O)C=NN(C1=O)CCCCN2CCN(CC2)C3=NC=CC=N3

IUPAC Name

4-methyl-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,2,4-triazine-3,5-dione

InChIKey

NMYAHEULKSYAPP-UHFFFAOYSA-N

INCHI

1S/C16H23N7O2/c1-20-14(24)13-19-23(16(20)25)8-3-2-7-21-9-11-22(12-10-21)15-17-5-4-6-18-15/h4-6,13H,2-3,7-12H2,1H3

SMILES isoméricas

CN1C(=O)C=NN(C1=O)CCCCN2CCN(CC2)C3=NC=CC=N3

Peso molecular

345.40

Reaxy-Rn

8347307

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8347307&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-arylpiperazines
• Alternative Parents: Dialkylarylamines N-alkylpiperazines Aminopyrimidines and derivatives 1,2,4-triazines Heteroaromatic compounds Trialkylamines Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-arylpiperazine - Dialkylarylamine - Aminopyrimidine - N-alkylpiperazine - Pyrimidine - Triazine - 1,2,4-triazine - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Lactam - Azacycle - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an aryl 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

Alvos associados (humanos)

HTR1A Tclin Serotonin 1a (5-HT1a) receptor (14969 Activities)

Discover Target: HTR1A

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

Alvos associados (não humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Adra1b Adrenergic receptor alpha-1 (5652 Activities)

Discover Target: Adra1b

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

Mecanismos de ação

Propriedades químicas e físicas

• Peso molecular: 345.400 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 345.191 Da
• Monoisotopic Mass: 345.191 Da
• Topological Polar Surface Area: 85.200 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 499.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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