Tìm theo
CA4P
Thuốc Gốc
Small Molecule
CTHH: C18H22O6
PTK: 334.3637
CA4P (Combretastatin)has been shown in the laboratory to shut down the blood supply to tumours. It is one of the first vascular targeting drugs to be tested in patients. This drug was originally isolated from the African Bush Willow. The first studies in patients with this drug were aimed at finding out whether it can be safely given to patients, what side effects it produces and whether it can actually shut down the blood supply to human tumours.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C18H22O6
Phân tử khối
334.3637
Monoisotopic mass
334.141638436
InChI
InChI=1S/C18H22O6/c1-21-15-6-5-11(8-14(15)20)7-13(19)12-9-16(22-2)18(24-4)17(10-12)23-3/h5-6,8-10,13,19-20H,7H2,1-4H3/t13-/m0/s1
InChI Key
InChIKey=LGZKGOGODCLQHG-ZDUSSCGKSA-N
IUPAC Name
5-[(2S)-2-hydroxy-2-(3,4,5-trimethoxyphenyl)ethyl]-2-methoxyphenol
Traditional IUPAC Name
5-[(2S)-2-hydroxy-2-(3,4,5-trimethoxyphenyl)ethyl]-2-methoxyphenol
SMILES
COC1=CC(=CC(OC)=C1OC)[C@@H](O)CC1=CC(O)=C(OC)C=C1
Độ hòa tan
5.45e-02 g/l
logP
2.34
logS
-3.8
pKa (strongest acidic)
9.99
pKa (Strongest Basic)
-3.1
PSA
77.38 Å2
Refractivity
89.75 m3·mol-1
Polarizability
34.48 Å3
Rotatable Bond Count
7
H Bond Acceptor Count
6
H Bond Donor Count
2
Physiological Charge
0
Number of Rings
2
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Cơ Chế Tác Dụng : CA4P (Combretastatin)has been shown in the laboratory to shut down the blood supply to tumours. It is one of the first vascular targeting drugs to be tested in patients. This drug was originally isolated from the African Bush Willow. The first studies in patients with this drug were aimed at finding out whether it can be safely given to patients, what side effects it produces and whether it can actually shut down the blood supply to human tumours. CA4P binds tubulin with a higher efficacy than colchicines, and was therefore initially investigated as an anti-mitotic agent. However, it was later observed to also induce vascular shutdown and necrosis in tumours. Clinical trials have revealed its positive effects, either as a single agent or in combination with chemotherapy, in patients with ovarian, lung or anaplastic thyroid cancer. Biochemical analyses revealed that CA4P rapidly diminished the tyrosine phosphorylation of VE-cadherin and beta-catenin, thereby blocking the endothelial signalling pathway that is necessary for maintaining a functional endothelial cell structure and survival.
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB05284
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=100154
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=677543
ChemSpider
http://www.chemspider.com/Chemical-Structure.90508.html
Wikipedia
http://en.wikipedia.org/wiki/Combretastatin
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