Vatalanib

HCID 151194
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Grundinformationen

CAS
212141-54-3
Standard-SMILES
Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
InChIKey
YCOYDOIWSSHVCK-UHFFFAOYSA-N
Summenformel
C20H15ClN4
Durchschnittliche Molmasse
346,8 g/mol
Monoisotopische Masse
346,09852416

Überblick

Vatalanib is a member of the class of phthalazines that is phthalazine in which the hydrogens at positions 1 and 4have been replaced by a p-chlorophenylamino group and a pyridin-4-ylmethyl group, respectively. It is a multi-targeted tyrosine kinase inhibitor for all isoforms of VEGFR, PDGFR and c-Kit. It has a role as an antineoplastic agent, an angiogenesis inhibitor, an EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor and a vascular endothelial growth factor receptor antagonist. It is a member of pyridines, a member of phthalazines, a secondary amino compound and a member of monochlorobenzenes.

Namen und Bezeichner

Bevorzugter Name
Vatalanib
IUPAC
N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine
Englischer Name
Vatalanib base
Summenformel
C20H15ClN4
Molmasse
346.81

Namen und Synonyme

Vatalanib212141-54-3N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-aminePynasunateVatalinibPTK787CGP 79787CGP-79787DTXSID2046919ZK-232934NVP-PTK787ZK222584
Weitere Namen anzeigen
VataLPTK787 2HClVatalanib HClVatalanib 2HCLVATALANIB BASEPTK787 free basePTK/ZK free baseVatalanib (PTK787)anib (PTK787) 2HCL
5DX9U76296BAY-86-5127N-(4-Chlorophenyl)-4-(4-pyridinylmethyl)-1-phthalazinamineDTXCID0026919CHEBI:90620K-222584NSC719335vatalanibum

Datenbank-Bezeichner

CAS
212141-54-3
PubChem CID
151194
DTXSID
DTXSID2046919
ChEMBL
CHEMBL101253
ChEBI
CHEBI:90620
UNII
5DX9U76296
Nikkaji
J1.327.398G

Eigenschaften

Berechnete Struktureigenschaften

XLogP
4,5
Polarare Oberfläche (TPSA)
50,7 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
4
Frei drehbare Bindungen
4
Schwere Atome
25

Experimentelle und physikochemische Eigenschaften

DrugsPharmaceuticals -> Listed in ZINC15
Collision Cross Section187.6 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID5049073]

Physikochemische Eigenschaften

Schmelzpunkt
209 · 209-212°
Siedepunkt
587.8 · 587.8±50.0 °C(Predicted)
Dichte
1.33 · 1.330±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C(protect from light)
Löslichkeit
16.85 mg/mL · ≥16.85 mg/mL in DMSO; ≥3.0125 mg/mL in EtOH with gentle warming and ultrasonic; ≥32.53 mg/mL in H2O with gentle warming and ultrasonic
Aggregatzustand
solid

Sicherheit und Regulatorisches

Sicherheitsdaten

hs_code
2933399990

Chemie und Industrie

Pharmakologische Informationen

Pharmacodynamics · 1 Eintrag

Vatalanib is a novel oral angiogenesis inhibitor being developed by Schering (in collaboration with Novartis AG). Vatalanib selectively inhibits the tyrosine kinase domains of vascular endothelial growth factor (VEGF) receptors, platelet-derived growth factor (PDGF) receptor, and c-KIT.

Mechanism of ActionVatalanib potently inhibits vascular endothelial growth factor (VEGF) receptor tyrosine kinases, important enzymes in the formation of new blood vessels that contribute to tumor growth and metastasis.
Biological Half-LifeApproximately 6 hours.
Metabolism/MetabolitesMainly through oxidative metabolism. Two pharmacologically inactive metabolites, CGP 84368/ZK 260120 and NVP AAW378/ZK 261557, having systemic exposure comparable to that of vatalanib, contributed mainly to the total systemic exposure.
MeSH Pharmacological ClassificationAgents that inhibit PROTEIN KINASES.
Absorption, Distribution and ExcretionRapid onset of absorption

Anwendungen

VerwendenVatalanib (PTK787) is an inhibitor of VEGFR2/KDR, Flt-1 and c-Kit with IC50 of 37 nM, 77 nM and 730 nM, respectively.

Vor- und nachgelagerte Produkte

Anbieter83 Anbieter

南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
Ergänzende Hinweise · 1 Eintrag

DefinitionChEBI: A member of the class of phthalazines that is phthalazine in which the hydrogens at positions 1 and 4have been replaced by a p-chlorophenylamino group and a pyridin-4-ylmethyl group, respectively. It is a multi-targeted tyrosine kinase inhibit r for all isoforms of VEGFR, PDGFR and c-Kit.

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