Tìm theo
Oleoyl estrone
Các tên gọi khác (3) :
  • Estrone 3-oleate
  • OE
  • Oleoyl-estrone
anti obesity agents
Thuốc Gốc
Small Molecule
CTHH: C36H54O3
PTK: 534.8122
Oleoyl-estrone (OE) is a fatty acid ester of estrone. It is a naturally circulating hormone in animals including humans. It was first reported in 1996 to cause a body fat loss effect in rats in the International Journal of Obesity and Related Metabolic Disorders. The animal research has all been conducted by the Nitrogen-Obesity Research Group of the University of Barcelona. The compound was found to potently induce body-fat loss while preserving protein stores in animals which is the ultimate goal of an anti-obesity agent as body protein loss is an undesired but inevitable (to some degree) side effect of fat loss via calorie restriction. [Wikipedia]
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C36H54O3
Phân tử khối
534.8122
Monoisotopic mass
534.407295594
InChI
InChI=1S/C36H54O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-35(38)39-29-20-22-30-28(27-29)19-21-32-31(30)25-26-36(2)33(32)23-24-34(36)37/h10-11,20,22,27,31-33H,3-9,12-19,21,23-26H2,1-2H3/b11-10-/t31-,32-,33+,36+/m1/s1
InChI Key
InChIKey=IMIPDPVHGGHVNH-YWVHRCQQSA-N
IUPAC Name
(1S,10R,11S,15S)-15-methyl-14-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-trien-5-yl (9Z)-octadec-9-enoate
Traditional IUPAC Name
(1S,10R,11S,15S)-15-methyl-14-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-trien-5-yl (9Z)-octadec-9-enoate
SMILES
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(OC(=O)CCCCCCC\C=C/CCCCCCCC)C=C3
Độ hòa tan
4.87e-06 g/l
logP
11.23
logS
-8
pKa (strongest acidic)
19.96
pKa (Strongest Basic)
-7
PSA
43.37 Å2
Refractivity
162.99 m3·mol-1
Polarizability
67.63 Å3
Rotatable Bond Count
17
H Bond Acceptor Count
2
H Bond Donor Count
0
Physiological Charge
0
Number of Rings
4
Bioavailability
0
MDDR-Like Rule
true
Dược Lực Học : Oleoyl-estrone is a fatty acid ester of estrone, and may be directly involved in the control of body weight (PMID: 8782737).
Cơ Chế Tác Dụng : Oleoyl-estrone (OE) is a fatty acid ester of estrone. It is a naturally circulating hormone in animals including humans. It was first reported in 1996 to cause a body fat loss effect in rats in the International Journal of Obesity and Related Metabolic Disorders. The animal research has all been conducted by the Nitrogen-Obesity Research Group of the University of Barcelona. The compound was found to potently induce body-fat loss while preserving protein stores in animals which is the ultimate goal of an anti-obesity agent as body protein loss is an undesired but inevitable (to some degree) side effect of fat loss via calorie restriction. [Wikipedia] Based on extensive preclinical studies, it is believed that oleoyl-estrone (OE) works by a dual mechanism of action. Centrally, OE appears to act at the brain's hypothalamus, resetting the body's ponderostat, the “food control center” in the brain that detects and integrates signals that control both appetite and metabolic behavior. Peripherally, OE also causes reduced storage of fat in “white fat” tissue and allows skeletal muscle to use fat as an alternate energy source.
Dược Động Học :
▧ Absorption :
Orally available
Chỉ Định : For the treatment of obesity.
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB04870
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=6918373
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=12015140
ChemSpider
http://www.chemspider.com/Chemical-Structure.5293576.html
Wikipedia
http://en.wikipedia.org/wiki/Oleoyl-estrone
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