Ozanimod Hydrochloride
Grundinformationen
- CAS
1618636-37-5- Standard-SMILES
CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NCCO)no2)cc1C#N.Cl- InChIKey
HAOOCAKHSFYDBU-BDQAORGHSA-N- Summenformel
- C23H25ClN4O3
- Durchschnittliche Molmasse
- 440,9 g/mol
- Monoisotopische Masse
- 440,1615184
Überblick
Ozanimod Hydrochloride is the hydrochloride salt form of ozanimod, an orally bioavailable sphingosine-1-phosphate (S1P) receptors 1 (S1PR1, S1P1) and 5 (S1PR5, S1P5) modulator, with potential anti-inflammatory and immunomodulating activities. Upon oral administration, ozanimod selectively targets and binds to S1PR1 on lymphocytes and induces S1PR1 internalization and degradation. This results in the sequestration of lymphocytes in lymph nodes. By preventing egress of lymphocytes, ozanimod reduces both the amount of circulating peripheral lymphocytes and the infiltration of lymphocytes into target tissues. This prevents a lymphocyte-mediated immune response and may reduce inflammation. S1PR1, a G-protein coupled receptor, plays a key role in lymphocyte migration from lymphoid tissues. Modulation of S1PR5 by ozanimod may be neuroprotective.
Namen und Bezeichner
- Bevorzugter Name
- Ozanimod Hydrochloride
- IUPAC
- 5-[3-[(1S)-1-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;hydrochloride
- Englischer Name
- Ozanimod hydrochloride
- Summenformel
- C23H25ClN4O3
- Molmasse
- 440.93
Namen und Synonyme
Ozanimod hydrochloride1618636-37-53UPR33JAAMRPC1063 HCLZeposiaRPC1063 HYDROCHLORIDERPC-1063 HCLRPC-1063 HYDROCHLORIDEDTXSID201026489Benzonitrile, 5-(3-((1S)-2,3-dihydro-1-((2-hydroxyethyl)amino)-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl)-2-(1-methylethoxy)-, hydrochloride (1:1)Benzonitrile, 5-[3-[(1S)-2,3-dihydro-1-[(2-hydroxyethyl)amino]-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-(1-methylethoxy)-, hydrochloride (1:1)ZEPOSIA Starter Kit
Weitere Namen anzeigen
Ozanimod hydOzanimod hydrochloride Impurity 1Ozanimod hydrochloride,1618636-37-5,Pharmaceutical Chemicals5-[3-[(1S)-1-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile"Benzonitrile, 5-[3-[(1S)-2,3-dihydro-1- [(2-hydroxyethyl)amino]-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-(1-methyleth"(S)-4-(5-(3-cyano-4-isopropoxyphenyl)-1,2,4-oxadiazol-3-yl)-N-(2-hydroxyethyl)-2,3-dihydro-1H-inden-1-aminium chlorideBenzonitrile, 5-[3-[(1S)-2,3-dihydro-1-[(2-hydroxyethyl)amino]-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-(1-methylethoxy)-, hydrochloride (1:1) (ACI)
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 104 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 7
- Frei drehbare Bindungen
- 7
- Schwere Atome
- 31
- Formalladung
- 0
- Komplexität
- 609
Experimentelle und physikochemische Eigenschaften
Human Drugs
Breast Feeding; Lactation; Milk, Human; Immunosuppressive Agents; Sphingosine 1 Phosphate Receptor Modulators
FDA approved drugs -> Active ingredient
EMA approved medicines: Human medicine
FDA approved drugs -> Active ingredient
Physikochemische Eigenschaften
- Aggregatzustand
- Solid
- Farbe
- White to off-white
- InChIKey
- HAOOCAKHSFYDBU-OZYVVJTJNA-N
- SMILES
- N([C@H]1CCC2=C(C3=NOC(C4C=CC(OC(C)C)=C(C#N)C=4)=N3)C=CC=C12)CCO.Cl |&1:1,r|
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
Toxikologische Informationen
Drug Induced Liver Injury
Drug Induced Liver Injury Rank (DILIrank 2.0)
Ozanimod hydrochloride
Ambiguous-DILI-concern
3
Warnings & precautions
DOI:10.1016/j.drudis.2016.02.015
Effects During Pregnancy and Lactation◉ Summary of Use during Lactation
Sicherheitsdaten
- Alarmwort
- Warnung
- Gefahrenhinweise
- Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302
Chemie und Industrie
Pharmakologische Informationen
FDA Pharmacological Classification
OZANIMOD HYDROCHLORIDE
Sphingosine 1-Phosphate Receptor Modulators [MoA]; Sphingosine 1-phosphate Receptor Modulator [EPC]
MeSH Pharmacological ClassificationAgents that affect the function of G-protein coupled SPHINGOSINE 1-PHOSPHATE RECEPTORS. Their binding to the receptors blocks lymphocyte migration and are often used as IMMUNOSUPPRESSANTS.
Anwendungen
BeschreibungOzanimod hydrochloride (RPC-1063 hydrochloride) is an orally available, selective and potent sphingosine 1-phosphate (S1P) receptor modulator that shows high affinity for S1P1 and S1P5. Ozanimod has potential anticancer activity and can be used in studying multiple sclerosis (MS), ulcerative multiple sclerosis (UMS), and other diseases. (MS), ulcerative colitis, coronavirus infections and myelodysplasia.
VerwendenOzanimod hydrochloride is an oral sphingosine 1-phosphate receptor modulator used to treat ulcerative colitis and other autoimmune diseases.
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