Tìm theo
Vatalanib
Các tên gọi khác (3) :
  • 1-(4-chloroanilino)-4-(4-pyridylmethyl)phthalazine succinate
  • PTK 787
  • PTK/ZK
Thuốc điều trị ung thư
Thuốc Gốc
Small Molecule
CAS: 212141-54-3
CTHH: C20H15ClN4
PTK: 346.813
Vatalanib (PTK787/ZK-222584) is a new oral antiangiogenic molecule that inhibits all known vascular endothelial growth factor receptors. Vatalanib is under investigation for the treatment of solid tumors.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C20H15ClN4
Phân tử khối
346.813
Monoisotopic mass
346.098524207
InChI
InChI=1S/C20H15ClN4/c21-15-5-7-16(8-6-15)23-20-18-4-2-1-3-17(18)19(24-25-20)13-14-9-11-22-12-10-14/h1-12H,13H2,(H,23,25)
InChI Key
InChIKey=YCOYDOIWSSHVCK-UHFFFAOYSA-N
IUPAC Name
N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine
Traditional IUPAC Name
vatalanib
SMILES
ClC1=CC=C(NC2=NN=C(CC3=CC=NC=C3)C3=CC=CC=C23)C=C1
Độ hòa tan
1.79e-03 g/l
logP
4.15
logS
-5.3
pKa (strongest acidic)
15.17
pKa (Strongest Basic)
4.95
PSA
50.7 Å2
Refractivity
100.98 m3·mol-1
Polarizability
36.52 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
4
H Bond Donor Count
1
Physiological Charge
0
Number of Rings
4
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Dược Lực Học : 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.
Cơ Chế Tác Dụng : Vatalanib (PTK787/ZK-222584) is a new oral antiangiogenic molecule that inhibits all known vascular endothelial growth factor receptors. Vatalanib is under investigation for the treatment of solid tumors. Vatalanib 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.
Dược Động Học :
▧ Absorption :
Rapid onset of absorption
▧ Metabolism :
Mainly 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.
▧ Half Life :
Approximately 6 hours.
Chỉ Định : Used in combination with first- and second-line chemotherapy for the treatment of metastatic colorectal cancer and non-small cell lung cancer (NSCLC).
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB04879
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=151194
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=10318716
ChemSpider
http://www.chemspider.com/Chemical-Structure.133257.html
BindingDB
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=4851
PharmGKB
http://www.pharmgkb.org/drug/PA7001
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