Ozagrel
Basic information
- CAS
82571-53-7- Standard SMILES
O=C(O)/C=C/c1ccc(Cn2ccnc2)cc1- InChIKey
SHZKQBHERIJWAO-AATRIKPKSA-N- Molecular formula
- C13H12N2O2
- Average molar mass
- 228.25 g/mol
- Monoisotopic mass
- 228.08987763
Overview
Ozagrel is a member of cinnamic acids.
Names & identifiers
- Preferred name
- Ozagrel
- IUPAC
- (E)-3-[4-(imidazol-1-ylmethyl)phenyl]prop-2-enoic acid
- English name
- Ozagrel
- Molecular formula
- C13H12N2O2
- Molecular weight
- 228.25
Names & synonyms
ozagrel82571-53-7OzagrelumKCT-0809L256JB984DDTXSID60485472-Propenoic acid, 3-(4-(1H-imidazol-1-ylmethyl)phenyl)-, (E)-(2E)-3-{4-[(1H-imidazol-1-yl)methyl]phenyl}prop-2-enoic acid3-(4-(imidazol-1-ylmethyl)phenyl)prop-2-enoic acid3-[4-(imidazol-1-ylmethyl)phenyl]prop-2-enoic acid(2E)-3-(4-((1H-imidazol-1-yl)methyl)phenyl)prop-2-enoic acid4-(1-imidazoylmethyl)cinnamic acid
Show more names
OzagreXanbonOKY-046Ozagrel APIOzagrel, ≥98%Mr Zardari grayOzagrel(OKY-046)OzagrelSodium99%
RefChem:1691923-(4-(1H-imidazol-1-ylmethyl)phenyl)-2-propenoic acidDTXCID6028103888-092-6CataclotOzagrel [INN]Ozagrelum [Latin](E)-3-[4-(imidazol-1-ylmethyl)phenyl]prop-2-enoic acid
Database identifiers
- CAS
82571-53-7- PubChem CID
- 5282440
- DTXSID
DTXSID6048547- ChEMBL
CHEMBL11662- ChEBI
CHEBI:134938- UNII
- L256JB984D
- EC Number
- 888-092-6
- Nikkaji
- J2.539.247G、J34.702G
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 283
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Melting point
- 223 · 223-224°
- Boiling point
- 468 · 468.0±25.0 °C(Predicted)
- Density
- 1.17 · 1.17±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- 50 mg/mL · DMSO : 50 mg/mL (219.06 mM; Need ultrasonic)
- form
- Powder
- pka
- 4.43 · 4.43±0.10(Predicted)
- color
- White to off-white
- CAS DataBase Reference
- 82571 · 82571-53-7(CAS DataBase Reference)
- FDA UNII
- 256 JB984D · L256JB984D
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Toxicology
Drug Induced Liver Injury
Drug-Induced Liver Injury Severity and Toxicity (DILIst)
Ozagrel
DILI Positive
DOI:10.1016/j.drudis.2019.09.022
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.
Fibrinolysin or agents that convert plasminogen to FIBRINOLYSIN.
Drugs that bind to but do not activate histamine receptors, thereby blocking the actions of histamine or histamine agonists. Classical antihistaminics block the histamine H1 receptors only.
Applications
UsesStrong thromboxane synthetase inhibitors. By inhibiting thromboxane synthase,it reduces the body thromboxane A, (TXA2), and promotes prostacyclin (PGl2) generation to be against aggregation of platelets, and cerebrovascular spasm, and it almost has no effect on cyclooxygenase and other arachidonic metabolizing enzymes.it is Clinically used for improving cerebral vasospasm after cobweb inferior vena hemorrhage surgery and symptoms of cerebral ischemia associated with cerebral vasospasm, and dyskinesia associated with cerebral thrombosis acute phase.
DescriptionOzagrel sodium is the first thromboxane (TX2) synthetase inhibitor to be developed as an antithrombotic agent. In patients with angina pectoris, ozagrel sodium reportedly decreases the frequency of anginal attacks and increases exercise tolerance. Other indications for ozagrel sodium currently under study include bronchial asthma and pulmonary thromboembolism.
UsesOzagrel is a potent and selective thromboxane A2 inhibitor. Used in the prevention of ischemic stroke injury and maintains a strong effect in vascular contraction and vascular endothelial cell dysfunction.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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