Tìm theo
Sofalcone
Thuốc Gốc
Small Molecule
CAS: 64506-49-6
CTHH: C27H30O6
PTK: 450.5235
Sofalcone is a mucosal protective agent that has been reported to inhibit growth of Helicobacter pylori. on adherence, production of vacuolating toxin (VT), and induction of interleukin-8 (IL-8) secretion by H. pylori.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C27H30O6
Phân tử khối
450.5235
Monoisotopic mass
450.204238692
InChI
InChI=1S/C27H30O6/c1-19(2)13-15-31-22-8-5-21(6-9-22)7-12-25(28)24-11-10-23(32-16-14-20(3)4)17-26(24)33-18-27(29)30/h5-14,17H,15-16,18H2,1-4H3,(H,29,30)/b12-7+
InChI Key
InChIKey=GFWRVVCDTLRWPK-KPKJPENVSA-N
IUPAC Name
2-{5-[(3-methylbut-2-en-1-yl)oxy]-2-[(2E)-3-{4-[(3-methylbut-2-en-1-yl)oxy]phenyl}prop-2-enoyl]phenoxy}acetic acid
Traditional IUPAC Name
5-[(3-methylbut-2-en-1-yl)oxy]-2-[(2E)-3-{4-[(3-methylbut-2-en-1-yl)oxy]phenyl}prop-2-enoyl]phenoxyacetic acid
SMILES
CC(C)=CCOC1=CC=C(\C=C\C(=O)C2=C(OCC(O)=O)C=C(OCC=C(C)C)C=C2)C=C1
Độ hòa tan
6.74e-04 g/l
logP
5.62
logS
-5.8
pKa (strongest acidic)
3.22
pKa (Strongest Basic)
-4.4
PSA
82.06 Å2
Refractivity
130.59 m3·mol-1
Polarizability
51.22 Å3
Rotatable Bond Count
12
H Bond Acceptor Count
6
H Bond Donor Count
1
Physiological Charge
-1
Number of Rings
2
Bioavailability
0
Cơ Chế Tác Dụng : Sofalcone is a mucosal protective agent that has been reported to inhibit growth of Helicobacter pylori. on adherence, production of vacuolating toxin (VT), and induction of interleukin-8 (IL-8) secretion by H. pylori. Sofalcone has been reported to have an anti-bacterial effect on H. pylori and the inhibitory effects against the pathogenic factor of H. pylori in addition to the mucosal protective effect due to the inhibition of prostaglandins degradation enzyme. Sofalcone has a direct bactericidal effect on H pylori, anti-urease activity and reduces the adhesion of this organism to gastric epithelial cells
Chỉ Định : Investigated for use/treatment in gastroenteritis and ulcers.
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB05197
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=5282219
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=12012583
ChemSpider
http://www.chemspider.com/Chemical-Structure.4445402.html
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