Tìm theo
Brasofensine
Các tên gọi khác (1) :
  • NS-2214
Thuốc Gốc
Small Molecule
CAS: 171655-91-7
CTHH: C16H20Cl2N2O
PTK: 327.249
Brasofensine is an orally administered dopamine reuptake inhibitor being developed for the treatment of Parkinson's Disease. Phase I/II trials for brasofensine have been completed in the U.K. In November 2001, NeuroSearch confirmed that the drug's development was discontinued in favor of NS 2230.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C16H20Cl2N2O
Phân tử khối
327.249
Monoisotopic mass
326.095268686
InChI
InChI=1S/C16H20Cl2N2O/c1-20-11-4-6-16(20)13(9-19-21-2)12(8-11)10-3-5-14(17)15(18)7-10/h3,5,7,9,11-13,16H,4,6,8H2,1-2H3/b19-9+/t11?,12-,13-,16?/m1/s1
InChI Key
InChIKey=NRLIFEGHTNUYFL-MTKJPOGLSA-N
IUPAC Name
(E)-{[(2R,3S)-3-(3,4-dichlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]methylidene}(methoxy)amine
Traditional IUPAC Name
(E)-{[(2R,3S)-3-(3,4-dichlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]methylidene}(methoxy)amine
SMILES
CO\N=C\[C@H]1C2CCC(C[C@@H]1C1=CC(Cl)=C(Cl)C=C1)N2C
Độ hòa tan
1.11e-03 g/l
logP
3.8
logS
-5.5
pKa (Strongest Basic)
9.45
PSA
24.83 Å2
Refractivity
86.73 m3·mol-1
Polarizability
34.41 Å3
Rotatable Bond Count
3
H Bond Acceptor Count
3
H Bond Donor Count
0
Physiological Charge
1
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Dược Lực Học : Brasofensine is an inhibitor of the synaptic dopamine transporter. It is a geometric isomer of the E-form; the Z-isomer is denoted as BMS-205912.
Cơ Chế Tác Dụng : Brasofensine is an orally administered dopamine reuptake inhibitor being developed for the treatment of Parkinson's Disease. Phase I/II trials for brasofensine have been completed in the U.K. In November 2001, NeuroSearch confirmed that the drug's development was discontinued in favor of NS 2230. When the neurotransmitter dopamine is released into the synaptic cleft, brasofensine prevents it from entering back into the source nerve cell, thereby allowing a longer period of synaptic activity.
Dược Động Học :
▧ Absorption :
Brasofensine is rapidly absorbed after oral administration in rats and monkeys, with peak plasma concentrations occurring 0.5-1 hr, but 3-8 hr for brasofensine in humans.
▧ Metabolism :
Brasofensine undergoes extensive first-pass metabolism following oral administration in humans, monkeys, and rats. It primarily underwent O- and N-demethylation and isomerization. Some of the desmethyl metabolites were further converted to glucuronides. These primary metabolites and glucuronides of demethyl brasofensine (M1 and M2) were major circulating metabolites in humans, and were also observed in rat and monkey plasma.
▧ Half Life :
Plasma terminal elimination half-lives were ~2 hr in rats, ~4 hr in monkeys, but ~24 hr in humans.
Chỉ Định : For the treatment of Parkinson's Disease.
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB04857
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=9554198
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=3846334
KEGG Drug
http://www.genome.jp/dbget-bin/www_bget?drug:D03153
ChemSpider
http://www.chemspider.com/Chemical-Structure.7832208.html
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