Avatrombopag Maleate
Grundinformationen
- CAS
677007-74-8- Standard-SMILES
O=C(Nc1nc(-c2cc(Cl)cs2)c(N2CCN(C3CCCCC3)CC2)s1)c1cnc(N2CCC(C(=O)O)CC2)c(Cl)c1.O=C(O)/C=C\C(=O)O- InChIKey
MISPBGHDNZYFNM-BTJKTKAUSA-N- Summenformel
- C33H38Cl2N6O7S2
- Durchschnittliche Molmasse
- 765,7 g/mol
- Monoisotopische Masse
- 764,1620453
Überblick
Avatrombopag Maleate is the maleate salt form of avatrombopag, an orally available platelet thrombopoietin receptor (TPOR; MPL) agonist, with potential megakaryopoiesis stimulating activity. Upon administration, avatrombopag binds to and stimulates TPOR, which may lead to the proliferation and differentiation of megakaryocytes from bone marrow progenitor cells. This increases the production of platelets and may prevent chemotherapy-induced thrombocytopenia (CIT). TPOR is a cytokine receptor and member of the hematopoietin receptor superfamily.
Namen und Bezeichner
- Bevorzugter Name
- Avatrombopag Maleate
- IUPAC
- (Z)-but-2-enedioic acid;1-[3-chloro-5-[[4-(4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylic acid
- Englischer Name
- Avatrombopag maleate
- Summenformel
- C33H38Cl2N6O7S2
- Molmasse
- 765.72
Namen und Synonyme
Avatrombopag maleate677007-74-8E5501 MALEATEUNII-GDW7M2P1ISGDW7M2P1ISE-5501 MALEATE4-Piperidinecarboxylic Acid, 1-(3-Chloro-5-(((4-(4-chloro-2-thienyl)-5-(4-cyclohexyl-1-piperazinyl)-2-thiazolyl)amino)carbonyl)-2-pyridinyl)-, (2Z)-2-butenedioate (1:1)4-Piperidinecarboxylic acid, 1-[3-chloro-5-[[[4-(4-chloro-2-thienyl)-5-(4-cyclohexyl-1-piperazinyl)-2-thiazolyl]amino]carbonyl]-2-pyridinyl]-, (2Z)-2-butenedioate (1:1)RefChem:577771-(3-Chloro-5-((4-(4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)-1,3-thiazol-2-yl)carbamoyl)pyridin-2-yl)piperidine-4-carboxylic acid monomaleate1-(3-Chloro-5-((4-(4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)thiazol-2-yl)carbamoyl)pyridin-2-yl)piperidine-4-carboxylic acid mono-(2Z)-but-2-enedioateAvatrombopag (maleate)
Weitere Namen anzeigen
1-[3-chloro-5-[[4-(4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)-1,3-thiazol-2-yl]carbamoyl]pyridin-2-yl]piperidine-4-carboxylic acid677007-74-8 (MALEATE) 570406-98-3 (FREE BASE)
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 233 Ų
- H-Brücken-Donoren
- 4
- H-Brücken-Akzeptoren
- 14
- Frei drehbare Bindungen
- 9
- Schwere Atome
- 50
- Formalladung
- 0
- Komplexität
- 1.050
Experimentelle und physikochemische Eigenschaften
Human Drugs
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
- MISPBGHDNZYFNM-BTJKTKAUSA-N
- SMILES
- C(/C(=O)O)=C/C(=O)O.N(C1SC(N2CCN(C3CCCCC3)CC2)=C(C2SC=C(Cl)C=2)N=1)C(C1=CN=C(N2CCC(C(=O)O)CC2)C(Cl)=C1)=O
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
Warning
H373 (100%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
P260, P319, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Gefahrenhinweise
Hazard Classes and CategoriesSTOT RE 2 (100%)
Toxikologische Informationen
Drug Induced Liver Injury
Drug Induced Liver Injury Rank (DILIrank 2.0)
Avatrombopag maleate
vNo-DILI-concern
0
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
Anwendungen
BeschreibungAvatrombopag maleate is a thrombopoietin receptor (TPO) agonist developed by AkaRx Inc and approved by the US FDA in May 2018 as Doptelet (20mg). For the treatment of low platelet count (thrombocytopenia CIT) in adult patients with chronic liver disease (CLD) who are scheduled to undergo medical or dental surgery.
VerwendenAvatrombopag Maleate is the maleate salt form of avatrombopag, an orally available platelet thrombopoietin receptor (TPOR; MPL) agonist, with potential megakaryopoiesis stimulating activity.
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