Tìm theo
AGI-1067
Thuốc Gốc
Small Molecule
CTHH: C35H52O5S2
PTK: 616.914
AGI-1067, is a novel small molecule with anti-oxidant and anti-inflammatory properties that was discovered by AtheroGenics and designed to treat atherosclerosis of the blood vessels of the heart, or coronary artery disease.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C35H52O5S2
Phân tử khối
616.914
Monoisotopic mass
616.325616154
InChI
InChI=1S/C35H52O5S2/c1-31(2,3)23-17-21(18-24(29(23)39)32(4,5)6)41-35(13,14)42-22-19-25(33(7,8)9)30(26(20-22)34(10,11)12)40-28(38)16-15-27(36)37/h17-20,39H,15-16H2,1-14H3,(H,36,37)
InChI Key
InChIKey=RKSMVPNZHBRNNS-UHFFFAOYSA-N
IUPAC Name
4-[2,6-di-tert-butyl-4-({2-[(3,5-di-tert-butyl-4-hydroxyphenyl)sulfanyl]propan-2-yl}sulfanyl)phenoxy]-4-oxobutanoic acid
Traditional IUPAC Name
succinobucol
SMILES
CC(C)(C)C1=CC(SC(C)(C)SC2=CC(=C(OC(=O)CCC(O)=O)C(=C2)C(C)(C)C)C(C)(C)C)=CC(=C1O)C(C)(C)C
Độ hòa tan
3.09e-05 g/l
logP
10.31
logS
-7.3
pKa (strongest acidic)
4.33
pKa (Strongest Basic)
-5.1
PSA
83.83 Å2
Refractivity
179.3 m3·mol-1
Polarizability
71.4 Å3
Rotatable Bond Count
13
H Bond Acceptor Count
4
H Bond Donor Count
2
Physiological Charge
-1
Number of Rings
2
Bioavailability
0
Cơ Chế Tác Dụng : AGI-1067, is a novel small molecule with anti-oxidant and anti-inflammatory properties that was discovered by AtheroGenics and designed to treat atherosclerosis of the blood vessels of the heart, or coronary artery disease. AGI-1067 works by inhibiting key oxidant signals within cells of blood vessel walls that generate inflammatory processes that are key to the pathogenesis of atherosclerosis. This includes inhibition of inflammatory cytokines, chemokines and vascular adhesion molecules that participate in the initiation, growth and eventual destabilization of the plaque. Its anti-oxidant properties also play a role in its ability to inhibit the formation of oxidized LDL, a critical component in the formation of atherosclerotic plaque.
Chỉ Định : Investigated for use/treatment in atherosclerosis, coronary artery disease, diabetes mellitus type 2, and in-stent restenosis.
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB05399
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=216325
ChemSpider
http://www.chemspider.com/Chemical-Structure.187514.html
BindingDB
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50117525
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