Tìm theo
Zanapezil
Các tên gọi khác (1) :
  • Zanepezil
Thuốc Gốc
Small Molecule
CAS: 142852-50-4
CTHH: C25H32N2O
PTK: 376.5344
Zanapezil (TAK-147) is a selective acetylcholine (ACh) esterase inhibitor under investigation as a drug for Alzheimer's disease (AD) treatment.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C25H32N2O
Phân tử khối
376.5344
Monoisotopic mass
376.251463656
InChI
InChI=1S/C25H32N2O/c28-25(23-11-10-22-8-4-5-15-26-24(22)18-23)12-9-20-13-16-27(17-14-20)19-21-6-2-1-3-7-21/h1-3,6-7,10-11,18,20,26H,4-5,8-9,12-17,19H2
InChI Key
InChIKey=PMBLXLOXUGVTGB-UHFFFAOYSA-N
IUPAC Name
3-(1-benzylpiperidin-4-yl)-1-(2,3,4,5-tetrahydro-1H-1-benzazepin-8-yl)propan-1-one
Traditional IUPAC Name
zanapezil
SMILES
O=C(CCC1CCN(CC2=CC=CC=C2)CC1)C1=CC2=C(CCCCN2)C=C1
Độ hòa tan
6.15e-04 g/l
logP
4.78
logS
-5.8
pKa (strongest acidic)
17.1
pKa (Strongest Basic)
8.74
PSA
32.34 Å2
Refractivity
118.68 m3·mol-1
Polarizability
44.81 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
3
H Bond Donor Count
1
Physiological Charge
1
Number of Rings
4
Bioavailability
1
Rule of Five
true
Ghose Filter
true
MDDR-Like Rule
true
Dược Lực Học : Zanapezil is an acetylcholinesterase inhibitor being developed by Takeda for the treatment of dementia in subjects with Alzheimer’s disease. In May 2003, the company discontinued development of the compound due to a lack of a dose-dependent effect in the trials.
Cơ Chế Tác Dụng : Zanapezil (TAK-147) is a selective acetylcholine (ACh) esterase inhibitor under investigation as a drug for Alzheimer's disease (AD) treatment. Zanapezil inhibits the degradation of acetylcholine, a neurotransmitter, to prevent the reduction of cerebral acetylcholine levels and to enhance the mental function of patients with dementia. It is expected to act selectively on the central nervous system, resulting in fewer peripheral adverse reactions.
Chỉ Định : For the treatment of dementia in subjects with Alzheimer’s disease.
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB04859
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=198752
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=10263018
ChemSpider
http://www.chemspider.com/Chemical-Structure.172025.html
BindingDB
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50037157
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