4-[(4-Methylpiperazin-1-yl)methyl]-N-(4-methyl-3-{[4-(pyridin-3-yl)-1,3-thiazol-2(3H)-ylidene]amino}phenyl)benzamide
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Grundinformationen
- CAS
790299-79-5- Standard-SMILES
Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1- InChIKey
WJEOLQLKVOPQFV-UHFFFAOYSA-N- Summenformel
- C28H30N6OS
- Durchschnittliche Molmasse
- 498,656 g/mol
- Monoisotopische Masse
- 498,22018058
Namen und Bezeichner
- Bevorzugter Name
- 4-[(4-Methylpiperazin-1-yl)methyl]-N-(4-methyl-3-{[4-(pyridin-3-yl)-1,3-thiazol-2(3H)-ylidene]amino}phenyl)benzamide
- IUPAC
- 4-[(4-Methylpiperazin-1-yl)methyl]-N-(4-methyl-3-{[4-(pyridin-3-yl)-1,3-thiazol-2(3H)-ylidene]amino}phenyl)benzamide
- Englischer Name
- Masitinib
- Summenformel
- C28H30N6OS
- Molmasse
- 498.64
Namen und Synonyme
MasivetMastinibAb1010CS-153Ab-1010Ab 1010MASITINIBMasatinibMarsetiniMarseitini
Datenbank-Bezeichner
- CAS
790299-79-5- PubChem CID
- 10074640
- DTXSID
DTXSID001000207- ChEMBL
CHEMBL1908391- ChEBI
CHEBI:63450- UNII
- M59NC4E26P
- Nikkaji
- J2.920.360A
Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 90 · 90-95°C
- Dichte
- 1.28 · 1.280±0.06 g/cm3(Predicted)
- storage temp.
- Refrigerator
- Löslichkeit
- Chloroform (Slightly), Dichloromethane (Slightly), DMSO (Slightly), Methanol (Slightly)
- Aggregatzustand
- Solid
- pka
- 13.24 · 13.24±0.70(Predicted)
- Farbe
- Off-White to Pale Beige
- InChIKey
- WJEOLQLKVOPQFV-UHFFFAOYSA-N
- SMILES
- C(NC1=CC=C(C)C(NC2=NC(C3=CC=CN=C3)=CS2)=C1)(=O)C1=CC=C(CN2CCN(C)CC2)C=C1
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
Sicherheitsdaten
- wgk
- WGK 3
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 OralRepr. 2STOT RE 2
Chemie und Industrie
Anwendungen
VerwendenMasitinib is a novel tyrosine kinase inhibitor (TKI) being developed by AB Science to treat symptoms of amyotrophic lateral sclerosis (ALS). Masitinib controlled-release implant for treating solid neoplasm.
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Ergänzende Hinweise
DefinitionChEBI: Masitinib is a member of the class of benzamides that is the carboxamide resulting from the formal condensation of the carboxy group of 4-[(4-methylpiperazin-1-yl)methyl]benzoic acid with the primary amino group of 4-methyl-N(3)-[4-(pyridin-3-yl)-1,3-thiazol-2-yl]benzene-1,3-diamine. It is a highly selective oral tyrosine kinase inhibitor. It has a role as a tyrosine kinase inhibitor, an antineoplastic agent and an antirheumatic drug. It is a N-alkylpiperazine, a member of 1,3-thiazoles, a member of pyridines and a member of benzamides.
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