1-(2,3,4-Trimethoxybenzyl)piperazine dihydrochloride - 10mM in DMSO , CAS No.13171-25-0

CAS: 13171-25-0 Cat. No.: T421230 Peso molecular: 339.26 Número EC: 236-117-0 PubChem CID: 83201

GRADE & PURITY 10mM in DMSO

Synonyms

1-[(2,3,4-trimethoxyphenyl)methyl]piperazine dihydrochloride | TRIMETAZIDINE HYDROCHLORIDE [WHO-DD] | Vastarel | 1-(2,3,4-Trimethoxybenzyl)piperazine dihydrochloride, 97% | SMR000069866 | Trimetazidine for system suitability, European Pharmacopoeia (EP) R

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Sinónimos

1-[(2, 3, 4-trimethoxyphenyl)methyl]piperazine dihydrochloride | TRIMETAZIDINE HYDROCHLORIDE [WHO-DD] | Vastarel | 1-(2, 3, 4-Trimethoxybenzyl)piperazine dihydrochloride, 97% | SMR000069866 | Trimetazidine for system suitability, European Pharmacopoeia (EP) R

Especificaciones y pureza

10mM in DMSO

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Nombres e identificadores

• Sonrisas canónicas: COC1=C(C(=C(C=C1)CN2CCNCC2)OC)OC.Cl.Cl
• IUPAC Name: 1-[(2,3,4-trimethoxyphenyl)methyl]piperazine;dihydrochloride
• InChIKey: VYFLPFGUVGMBEP-UHFFFAOYSA-N
• INCHI: 1S/C14H22N2O3.2ClH/c1-17-12-5-4-11(13(18-2)14(12)19-3)10-16-8-6-15-7-9-16;;/h4-5,15H,6-10H2,1-3H3;2*1H
• Isómeros SMILES: COC1=C(C(=C(C=C1)CN2CCNCC2)OC)OC.Cl.Cl
• WGK Alemania: 3
• RTECS: TM2976100
• PubChem CID: 83201
• Peso molecular: 339.26

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Phenylmethylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenylmethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmethylamines
• Alternative Parents: Phenoxy compounds Methoxybenzenes Benzylamines Anisoles N-alkylpiperazines Aralkylamines Alkyl aryl ethers Trialkylamines Dialkylamines Azacyclic compounds Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenoxy compound - Anisole - Benzylamine - Phenol ether - Methoxybenzene - Phenylmethylamine - Alkyl aryl ether - Aralkylamine - N-alkylpiperazine - 1,4-diazinane - Piperazine - Tertiary aliphatic amine - Tertiary amine - Secondary aliphatic amine - Ether - Azacycle - Organoheterocyclic compound - Secondary amine - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organic oxygen compound - Hydrochloride - Organopnictogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.
• 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

Objetivos asociados (no humanos)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 339.300 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 338.116 Da
• Monoisotopic Mass: 338.116 Da
• Topological Polar Surface Area: 43.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 259.000
• 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: 3

XLogP3

Referencias

1. Yang Yang, Cuiting Lin, Qiang Zheng, Leqi Zhang, Yongmei Li, Qinghua Huang, Ting Wu, Zean Zhao, Lu Li, Jian Luo, Yanqing Jiang, Qun Zhang, Xing Wang, Chenglai Xia, Jianxin Pang.  (2023)  L-carnitine attenuated hyperuricemia-associated left ventricular remodeling through ameliorating cardiomyocytic lipid deposition.  Frontiers in Pharmacology,      [PMID:36817129] [10.3389/fphar.2023.1016633]