Tìm theo
Gaboxadol
Các tên gọi khác (2) :
  • 4,5,6,7-tetrahydroisoxazolo(5,4-c)pyridin-3-ol
  • THIP
Thuốc Gốc
Small Molecule
CAS: 64603-91-4
CTHH: C6H8N2O2
PTK: 140.1399
Gaboxadol also known as 4,5,6,7-tetrahydroisoxazolo(5,4-c)pyridin-3-ol (THIP) is an experimental sleep aid drug developed by Lundbeck and Merck. In March, 2007, Merck and H. Lundbeck cancelled work on the drug, citing safety concerns and the failure of an efficacy trial. It acts on the GABA system, but possibly in a different way from benzodiazepines, nonbenzodiazepines and barbiturates - (Valium, Sodium Pentothal, Ambien etc.). Lundbeck states that gaboxadol also increases deep sleep (stage 4). It is, however, not reinforcing like benzodiazepines are. [Wikipedia]
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C6H8N2O2
Phân tử khối
140.1399
Monoisotopic mass
140.05857751
InChI
InChI=1S/C6H8N2O2/c9-6-4-1-2-7-3-5(4)10-8-6/h7H,1-3H2,(H,8,9)
InChI Key
InChIKey=ZXRVKCBLGJOCEE-UHFFFAOYSA-N
IUPAC Name
2H,3H,4H,5H,6H,7H-[1,2]oxazolo[5,4-c]pyridin-3-one
Traditional IUPAC Name
gaboxadol
SMILES
O=C1NOC2=C1CCNC2
Độ hòa tan
1.66e+01 g/l
logP
-2
logS
-0.93
pKa (strongest acidic)
5.12
pKa (Strongest Basic)
8.85
PSA
50.36 Å2
Refractivity
35.5 m3·mol-1
Polarizability
13.31 Å3
Rotatable Bond Count
0
H Bond Acceptor Count
3
H Bond Donor Count
2
Physiological Charge
0
Number of Rings
2
Bioavailability
1
Rule of Five
true
Chỉ Định : Investigated for use/treatment in sleep disorders and insomnia.
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB06554
KEGG Drug
http://www.genome.jp/dbget-bin/www_bget?drug:D04282
Wikipedia
http://en.wikipedia.org/wiki/Gaboxadol
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