Tìm theo
OXI4503
Thuốc Gốc
Small Molecule
CAS: 288847-35-8
CTHH: C18H18Na4O12P2
PTK: 580.2349
OXI4503 is investigated in clinical trials for treating cancer/tumors. OXI4503 is a solid. OXI4503 blocks and destroys tumor vasculature, resulting in extensive tumor cell death and necrosis. OXI4503 (combretastatin A1 di-phosphate / CA1P) is a unique and highly potent, dual-mechanism vascular disrupting agent (VDA). In addition, however, preclinical data demonstrates that OXI4503 is metabolized by oxidative enzymes (e.g., tyrosinase and peroxidases), which are elevated in many solid tumors and tumor infiltrates, to an orthoquinone chemical species that has direct cytotoxic effects on tumor cells. Preclinical studies have demonstrated that OXI4503 has (i) single-agent activity against a range of xenograft tumor models; and (ii) synergistic or additive effects when incorporated in various combination regimens with chemotherapy, molecularly-targeted therapies (including tumor-angiogenesis inhibitors), and radiation therapy.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C18H18Na4O12P2
Phân tử khối
580.2349
Monoisotopic mass
579.986427764
InChI
InChI=1S/C18H22O12P2.4Na/c1-25-13-8-7-12(16(29-31(19,20)21)18(13)30-32(22,23)24)6-5-11-9-14(26-2)17(28-4)15(10-11)27-3;;;;/h5-10H,1-4H3,(H2,19,20,21)(H2,22,23,24);;;;/q;4*+1/p-4/b6-5-;;;;
InChI Key
InChIKey=NRKFVEPAQNCYNJ-YGGCHVFLSA-J
IUPAC Name
tetrasodium 3-methoxy-2-(phosphonatooxy)-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl phosphate
Traditional IUPAC Name
tetrasodium 3-methoxy-2-(phosphonatooxy)-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl phosphate
SMILES
[Na+].[Na+].[Na+].[Na+].COC1=CC(\C=C/C2=C(OP([O-])([O-])=O)C(OP([O-])([O-])=O)=C(OC)C=C2)=CC(OC)=C1OC
Độ hòa tan
1.92e+00 g/l
logP
1.77
logS
-2.5
pKa (strongest acidic)
1.31
pKa (Strongest Basic)
-4.3
PSA
181.76 Å2
Refractivity
108.59 m3·mol-1
Polarizability
42.23 Å3
Rotatable Bond Count
10
H Bond Acceptor Count
10
H Bond Donor Count
0
Physiological Charge
-4
Number of Rings
2
Bioavailability
1
Dược Lực Học : OXi4503 blocks and destroys tumor vasculature, resulting in extensive tumor cell death and necrosis. In addition, however, preclinical data demonstrates that OXi4503 is metabolized by oxidative enzymes (e.g., tyrosinase and peroxidases), which are elevated in many solid tumors and tumor infiltrates, to an orthoquinone chemical species that has direct cytotoxic effects on tumor cells.
Cơ Chế Tác Dụng : OXI4503 is investigated in clinical trials for treating cancer/tumors. OXI4503 is a solid. OXI4503 blocks and destroys tumor vasculature, resulting in extensive tumor cell death and necrosis. OXI4503 (combretastatin A1 di-phosphate / CA1P) is a unique and highly potent, dual-mechanism vascular disrupting agent (VDA). In addition, however, preclinical data demonstrates that OXI4503 is metabolized by oxidative enzymes (e.g., tyrosinase and peroxidases), which are elevated in many solid tumors and tumor infiltrates, to an orthoquinone chemical species that has direct cytotoxic effects on tumor cells. Preclinical studies have demonstrated that OXI4503 has (i) single-agent activity against a range of xenograft tumor models; and (ii) synergistic or additive effects when incorporated in various combination regimens with chemotherapy, molecularly-targeted therapies (including tumor-angiogenesis inhibitors), and radiation therapy. OXi4503 blocks and destroys tumor vasculature, resulting in extensive tumor cell death and necrosis. It induced the shutdown of tumor blood vessels and affected peripheral tumor regions less than central regions.
Chỉ Định : Investigated for use/treatment in cancer/tumors (unspecified).
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB05143
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=6918545
ChemSpider
http://www.chemspider.com/Chemical-Structure.5293742.html
BindingDB
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50236033
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