Tìm theo
ED-71
Thuốc Gốc
Small Molecule
CTHH: C30H50O5
PTK: 490.715
ED-71, a vitamin D analog, is a more potent inhibitor of bone resorption than alfacalcidol in an estrogen-deficient rat model of osteoporosis. ED-71, effectively and safely increased lumbar and hip bone mineral density (BMD) in osteoporotic patients who also received vitamin D3 supplementation.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C30H50O5
Phân tử khối
490.715
Monoisotopic mass
490.36582471
InChI
InChI=1S/C30H50O5/c1-20(9-6-15-29(3,4)34)24-13-14-25-22(10-7-16-30(24,25)5)11-12-23-19-26(32)28(27(33)21(23)2)35-18-8-17-31/h11-12,20,24-28,31-34H,2,6-10,13-19H2,1,3-5H3/b22-11+,23-12-/t20-,24-,25+,26+,27+,28+,30-/m1/s1
InChI Key
InChIKey=FZEXGDDBXLBRTD-SJSKTVLPSA-N
IUPAC Name
(1S,2S,3S,5Z)-5-{2-[(1R,3aS,4E,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-2-(3-hydroxypropoxy)-4-methylidenecyclohexane-1,3-diol
Traditional IUPAC Name
(1S,2S,3S,5Z)-5-{2-[(1R,3aS,4E,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-hexahydro-1H-inden-4-ylidene]ethylidene}-2-(3-hydroxypropoxy)-4-methylidenecyclohexane-1,3-diol
SMILES
OCCCO[C@H]1[C@@H](O)C\C(=C\C=C2/CCC[C@]3(C)[C@]([H])(CC[C@@]23[H])[C@H](C)CCCC(O)(C)C)C(=C)[C@@H]1O
Độ hòa tan
1.05e-02 g/l
logP
3.67
logS
-4.7
pKa (strongest acidic)
13.38
pKa (Strongest Basic)
-1.3
PSA
90.15 Å2
Refractivity
143.54 m3·mol-1
Polarizability
59.47 Å3
Rotatable Bond Count
10
H Bond Acceptor Count
5
H Bond Donor Count
4
Physiological Charge
0
Number of Rings
3
Bioavailability
1
Rule of Five
true
MDDR-Like Rule
true
Cơ Chế Tác Dụng : ED-71, a vitamin D analog, is a more potent inhibitor of bone resorption than alfacalcidol in an estrogen-deficient rat model of osteoporosis. ED-71, effectively and safely increased lumbar and hip bone mineral density (BMD) in osteoporotic patients who also received vitamin D3 supplementation. ED-71 [1a,25-DIHYDROXY-2ß-(3-hydroxypropoxy)vitamin D3] is an analog of 1a,25-dihydroxyvitamin D3 [1,25(OH)2D3], bearing a hydroxypropoxy residue at the 2b position. ED-71 is also effect in increasing bone mass and was able to enhance bone strength in rodents. It binds to the vitamin D receptor (VDR) with less affinity but binds to vitamin D-binding protein with higher affinity than 1,25(OH)2D, showing a long half-life in plasma.
Chỉ Định : Investigated for use/treatment in osteoporosis.
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB05295
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=6438982
ChemSpider
http://www.chemspider.com/Chemical-Structure.4943418.html
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