Jakafi
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Grundinformationen
- CAS
1092939-17-7- Standard-SMILES
N#CC[C@H](C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1.O=P(O)(O)O- InChIKey
JFMWPOCYMYGEDM-XFULWGLBSA-N- Summenformel
- C17H21N6O4P
- Durchschnittliche Molmasse
- 404,4 g/mol
- Monoisotopische Masse
- 404,13618978
Überblick
Ruxolitinib phosphate is a phosphate salt obtained by reaction ruxolitinib with one equivalent of phosphoric acid. Used for the treatment of patients with intermediate or high-risk myelofibrosis, including primary myelofibrosis, post-polycythemia vera myelofibrosis and post-essential thrombocythemia myelofibrosis. It has a role as an antineoplastic agent and an EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor. It contains a ruxolitinib.
Namen und Bezeichner
- Bevorzugter Name
- Jakafi
- IUPAC
- (3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;phosphoric acid
- Englischer Name
- Ruxolitinib phosphate
- Summenformel
- C17H21N6O4P
- Molmasse
- 404.37
Namen und Synonyme
Ruxolitinib phosphate1092939-17-7Jakafiruxolitinib monophosphateINCB018424 PHOSPHATEruxolitinib (as phosphate)INCB-018424 phosphateINCB-018424 Salt436LRU32H5(3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile phosphateINCB-18424 PHOSPHATECHEBI:66917
Weitere Namen anzeigen
INC424Ruxolitinib, Phosphate Salt(3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrileINCB 018424INC 424 phosphateRuxotinib phosphateRusotinib phosphateJakafi (ruxolitinib)IINCB018424 phosphateRuxolitinib, Phosphate
1H-Pyrazole-1-propanenitrile, beta-cyclopentyl-4-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)-,(betaR)-, phosphate (1:1)(3R)-3-cyclopentyl-3-(4-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)-1H-pyrazol-1-yl)propanenitrile phosphateRefChem:55991(3R)-3-cyclopentyl-3-(4-(7h-pyrrolo(2,3-d)pyrimidin-4-yl)pyrazol-1-yl)propanenitrile Phosphate (1:1)(R)-3-(4-(7H-Pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl)-3-cyclopentylpropanenitrile phosphateJakaviRuxolitinib (phosphate)OPZELURA
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- Polarare Oberfläche (TPSA)
- 161 Ų
- H-Brücken-Donoren
- 4
- H-Brücken-Akzeptoren
- 8
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 28
- Formalladung
- 0
- Komplexität
- 503
Experimentelle und physikochemische Eigenschaften
Human Drugs
Breast Feeding; Lactation; Milk, Human; Antineoplastic Agents; Enzyme Inhibitors; Protein Kinase Inhibitors; Signal Transduction Inhibitors; Janus Kinase Inhibitors; JAK Inhibitors
FDA approved drugs -> Active ingredient
EMA approved medicines: Human medicine
FDA approved drugs -> Active ingredient
Physikochemische Eigenschaften
- Schmelzpunkt
- 186 · 186-190°C
- storage temp.
- Refrigerator
- Löslichkeit
- DMSO (Slightly), Methanol (Slightly)
- Aggregatzustand
- Solid
- Farbe
- White to Off-White
- InChI
- InChI=1/C17H18N6.H3O4P/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16;1-5(2,3)4/h6,8-12,15H,1-5H2,(H,19,20,21);(H3,1,2,3,4)/t15-;/s3
- InChIKey
- JFMWPOCYMYGEDM-AVAJOTNLNA-N
- SMILES
- P(O)(O)(O)=O.[C@@H](C1CCCC1)(N1N=CC(C2N=CN=C3NC=CC=23)=C1)CC#N |&1:5,r|
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
Danger
H301 (66.7%): Toxic if swallowed [Danger Acute toxicity, oral]
P203, P260, P264, P270, P273, P280, P301+P316, P301+P317, P318, P319, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 3 (66.7%)
Toxikologische Informationen
Drug Induced Liver Injury
Drug Induced Liver Injury Rank (DILIrank 2.0)
Ruxolitinib phosphate
Ambiguous-DILI-concern
3
Adverse reactions
DOI:10.1016/j.drudis.2016.02.015
Non-Human Toxicity ExcerptsThis 2026 publication is a canine case report. Cardiovascular and ocular abnormalities were observed after ingestion of ruxolitinib phosphate 1.5% topical cream.
Effects During Pregnancy and Lactation◉ Summary of Use during Lactation
Sicherheitsdaten
- hs_code
- 29331990
Chemie und Industrie
Anwendungen
VerwendenThe phosphate salt of Ruxolitinib (R702000). Ruxolitinib is a selective Janus tyrosine kinase (JAK1 and JAK2) inhibitor used in the treatment of myeloproliferative neoplasms and psoriasis.
Ergänzende Hinweise
DefinitionChEBI: A phosphate salt obtained by reaction ruxolitinib with one equivalent of phosphoric acid. Used for the treatment of patients with intermediate or high-risk myelofibrosis, including primary myelofibrosis, post-polycythemia vera myelofibrosis and post-essent al thrombocythemia myelofibrosis.
Zugehörige Reaktionen
5
Notizen zur Verbindung
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