Vorapaxar Sulfate

HCID 10077129

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Grundinformationen

CAS: 705260-08-8
Standard-SMILES: CCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@H]1C(=O)O[C@H](C)[C@H]1[C@H]2/C=C/c1ccc(-c2cccc(F)c2)cn1.O=S(=O)(O)O
InChIKey: NQRYCIGCIAWEIC-CKLVGUEFSA-N
Summenformel: C29H35FN2O8S
Durchschnittliche Molmasse: 590,7 g/mol
Monoisotopische Masse: 590,20981541

Überblick

Vorapaxar sulfate is an organic sulfate salt obtained by combining vorapaxar with one molar equivalent of sulfuric acid. A protease-activated receptor-1 antagonist used for the reduction of thrombotic cardiovascular events in patients with a history of myocardial infarction (MI) or with peripheral arterial disease. It has been shown to reduce the rate of a combined endpoint of cardiovascular death, MI, stroke and urgent coronary revascularisation. It has a role as a cardiovascular drug, a platelet aggregation inhibitor and a protease-activated receptor-1 antagonist. It contains a vorapaxar(1+).

Namen und Bezeichner

Bevorzugter Name: Vorapaxar Sulfate
IUPAC: ethyl N-[(1R,3aR,4aR,6R,8aR,9S,9aS)-9-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-1-methyl-3-oxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-1H-benzo[f][2]benzofuran-6-yl]carbamate;sulfuric acid
Englischer Name: Vorapaxar Sulfate
Summenformel: C29H35FN2O8S
Molmasse: 590.66

Namen und Synonyme

VORAPAXAR SULFATE705260-08-8Sch 530348DTXSID60990731IN66038E6CCHEBI:83314RefChem:56277DTXCID401513428686-297-3ZontivityVorapaxar (sulfate)Vorapaxar sulfate [USAN]

Weitere Namen anzeigen

Vorapaxar-d5SCH 530348 sulfateSCH-530348SCH530348vorapaxar impurity Avorapaxar monosulfateVorapaxar Sulfate APIVorapaxar sulfate salt

MFCD16038877Carbamic acid, N-[(1R,3aR,4aR,6R,8aR,9S,9aS)-9-[(1E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]dodecahydro-1-methyl-3-oxonaphtho[2,3-c]furan-6-yl]-, ethyl ester, sulfate (1:1)ethyl N-[(1R,3aR,4aR,6R,8aR,9S,9aS)-9-[(E)-2-[5-(3-fluorophenyl)pyridin-2-yl]ethenyl]-1-methyl-3-oxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-1H-benzo[f][2]benzofuran-6-yl]carbamate;sulfuric acidethyl ((1R,3aR,4aR,6R,8aR,9S,9aS)-9-((E)-2-(5-(3-fluorophenyl)pyridin-2-yl)vinyl)-1-methyl-3-oxododecahydronaphtho[2,3-c]furan-6-yl)carbamate sulfateSCH 530348 (sulfate)UNII-IN66038E6CZontivity (TN)2-((E)-2-((3R,3aS,4S,4aR,7R,8aR,9aR)-7-((ethoxycarbonyl)amino)-3-methyl-1-oxododecahydronaphtho(2,3-c)furan-4-yl)ethenyl)-5-(3-fluorophenyl)pyridinium hydrogen sulfate

Datenbank-Bezeichner

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 161 Å²
H-Brücken-Donoren: 3
H-Brücken-Akzeptoren: 10
Frei drehbare Bindungen: 6
Schwere Atome: 41
Formalladung: 0
Komplexität: 902

Experimentelle und physikochemische Eigenschaften

Human Drugs · 2 Einträge

FDA approved drugs -> Active ingredient

Physikochemische Eigenschaften

storage temp.: 4 °C, · 4°C, away from moisture
Löslichkeit: 125 mg/mL · DMSO : 125 mg/mL (211.63 mM; Need ultrasonic)| (insoluble)
Aggregatzustand: Solid
Farbe: White to off-white
Wasserlöslichkeit: 0.1 mg/mL · Water : < 0.1 mg/mL (ultrasonic;warming;heat to 60°C)

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H361 (92.3%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]

P203, P260, P273, P280, P318, P319, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 13 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesRepr. 2 (92.3%)

Toxikologische Informationen

Drug Induced Liver Injury · 6 Einträge

Drug Induced Liver Injury Rank (DILIrank 2.0)

Vorapaxar sulfate

vNo-DILI-concern

No match

DOI:10.1016/j.drudis.2016.02.015

Sicherheitsdaten

Alarmwort: Warnung
Gefahrenhinweise: Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302

Chemie und Industrie

Pharmakologische Informationen

MeSH Pharmacological Classification · 1 Eintrag

Drugs or agents which antagonize or impair any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system.

Anwendungen · 2 Einträge

BeschreibungMerck Sharp & Dohme successfully obtained approval in the EU in 2014 for vorapaxar sulfate, marketed as Zontivity®. The drug is a first-in-class thrombin receptor (also referred to as a protease-activated or PAR-1) antagonist which, when used in conjunction with antiplatelet therapy, has been shown to reduce the chance of myocardial infarction and stroke, particularly in patients with a history of cardiac events. Antagonism of PAR-1 allows for thrombin-mediated fibrin deposition while blocking thrombinmediated platelet activation.

VerwendenSCH-530348 is a novel antiplatelet agent undergoing development by Schering-Plough Corp for the treatment and prevention of atherothrombosis. acute coronary syndrome (unstable angina/non-ST segment elevation myocardial infarction) and secondary prevention of cardiovascular events in high-risk patients.

Anbieter100 Anbieter

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]

湖北万得化工有限公司15377098680 15377098680 · [email protected]

济南百隆化学有限公司[email protected] · [email protected]

成都超九八生物科技有限公司13348960310 13348960310 · [email protected]

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