Trimetazidine

HCID 21109

Basic information

CAS
5011-34-7
Standard SMILES
COc1ccc(CN2CCNCC2)c(OC)c1OC
InChIKey
UHWVSEOVJBQKBE-UHFFFAOYSA-N
Molecular formula
C14H22N2O3
Average molar mass
266.34 g/mol
Monoisotopic mass
266.16304256

Overview

1-[(2,3,4-trimethoxyphenyl)methyl]piperazine is an aromatic amine.

Names & identifiers

Preferred name
Trimetazidine
IUPAC
1-[(2,3,4-trimethoxyphenyl)methyl]piperazine
English name
Trimetazidine
Molecular formula
C14H22N2O3
Molecular weight
266.34

Names & synonyms

TRIMETAZIDINE5011-34-71-[(2,3,4-trimethoxyphenyl)methyl]piperazineTrimetazidinaTrimetazidinumDilatanN9A0A0R9S8Piperazine, 1-((2,3,4-trimethoxyphenyl)methyl)-DTXSID2048531Piperazine, 1-[(2,3,4-trimethoxyphenyl)methyl]-1-((2,3,4-trimethoxyphenyl)methyl)piperazineVastarel MR
Show more names
TRIMETAZIDINE HCLVasorelVasartelAKOS B006602TIMTEC-BB SBB007020ART-CHEM-BB B006602ART-CHEM-BB B014361Trimetazidine USP/EP/BP
RefChem:191732DTXCID9027998C01EB15225-690-21-(2,3,4-Trimethoxybenzyl)piperazineMFCD008682631-(2,3,4-Trimethoxy-benzyl)-piperazinePreductal

Database identifiers

CAS
5011-34-7
PubChem CID
21109
DTXSID
DTXSID2048531
ChEMBL
CHEMBL203266
ChEBI
CHEBI:94789
UNII
N9A0A0R9S8
EC Number
225-690-2
Nikkaji
J8.797A

Properties

Computed structural properties

XLogP
1
Topological polar surface area
43 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
19

Experimental & physicochemical properties

Drugs · 2 items

Pharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds

Pharmaceuticals -> Listed in ZINC15

LogP1.04
Dissociation ConstantspKa1= 4.45 ± 0.02 and pKa2= 9.14 ± 0.02

Physicochemical properties

Boiling point
2 · bp2 200-205°
Density
1.092 · 1.092±0.06 g/cm3(Predicted)
vapor pressure
0.003 Pa · 0.003Pa at 25℃
storage temp.
Hygroscopic, Refrigerator, Under inert atmosphere
solubility
Chlorofrom (Slightly), Methanol (Slightly)
form
Solid

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H226 (66.7%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 09-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/23706
Hazard Classes and CategoriesFlam. Liq. 3 (66.7%)

Toxicology

Drug Induced Liver Injury · 4 items

Drug-Induced Liver Injury Severity and Toxicity (DILIst)

Trimetazidine

DILI Positive

DOI:10.1016/j.drudis.2019.09.022

Safety data

Signal word
Danger
Symbol(GHS)
GHS02,GHS07,GHS05
hazard_code
Xi
hazard_class
IRRITANT
Hazard statements
H226-H314-H412-H302
REACH Registrations
Active

Chemistry & industry

Pharmacology

ATC Code · 3 items

C01EB15

C - Cardiovascular system

QC - Cardiovascular system

Protein BindingTrimetazidine is 15% protein bound in plasma. Trimetazidine can bind to human serum albumin.
Pharmacodynamics · 1 item

Trimetazidine is indicated for the symptomatic treatment of stable angina pectoris in patients inadequately controlled or intolerant to first line therapies. Patients should be counselled regarding the risk of use with reduced renal or hepatic function, worsening of extrapyramidal symptoms or other movement disorders, and risk of falls.

Mechanism of Action · 1 item

During myocardial ischemia, anaerobic metabolism takes over, increasing levels of lactic acid. The decreased intracellular pH and increased concentration of protons activates sodium-hydrogen and sodium-calcium antiport systems, raising intracellular calcium concentrations, finally leading to decreased contractility. This injury to the myocardium raises concentrations of catecholamines, which activate hormone sensitive lipase, and increasing fatty acid concentrations in plasma. When the myocardium is repurfused, fatty acid oxidation becomes the dominant form of ATP production, maintaining an acidic pH, and further exacerbating the injury. The mechanism of action of trimetazidine is not fully understood. Trimetazidine may inhibit mitochondrial 3-ketoacyl coenzyme A thiolase, decreasing long chain fatty acid β-oxidation but not glycolysis in the myocardium. The decreased long chain fatty acid β-oxidation is compensated for by increased use of glucose, preventing a lowered myocardial pH, and further decreases in contractility. However, another study suggests that 3-ketoacyl coenzyme A thiolase may not be trimetazidine's target, and that this mechanism may be incorrect.

Biological Half-LifeIn young, healthy subjects, the half life of trimetazidine is 7.81 hours. In patients over 65, the half life increases to 11.7 hours.
Metabolism/Metabolites · 1 item

Trimetazidine can be oxidized at the piperazine ring to form trimetazidine ketopiperazine. Trimetazidine can also be N-formylated, N-acetylated, or N-methylated at the piperazine ring to form N-formyltrimetazidine, N-acetyltrimetazidine, and N-methyltrimetazidine respectively. Alternatively, trimetazidine can be demethylated at the 2, 3, or 4 position of the 2,3,4-trimethoxybenzyl moiety to form 2-desmethyltrimetazidine, 3-desmethyltrimetazidine, or 4-desmethyltrimetazidine. The desmethyltrimetazidine metabolites can undergo sulfate conjugation or glucuronidation prior to elimination.

Applications

Uses1-(2,3,4-Trimethoxybenzyl)piperazine is used in combination with atorvastatin in the treatment of coronary heart disease and angina pectoris.

Suppliers38 total

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
普善实业(陕西)有限公司029-81310890 18165209495 · [email protected]
LGM Pharma1-(800)-881-8210 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]

Additional notes

DefinitionChEBI: 1-[(2,3,4-trimethoxyphenyl)methyl]piperazine is an aromatic amine.

Related reactions

14 records

Compound notes

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