Tìm theo
Rivanicline
Các tên gọi khác (1) :
  • (E)-N-Methyl-4-(3-pyridinyl)-3-butene-1-amine
Thuốc Gốc
Small Molecule
CAS: 538-79-4
CTHH: C10H14N2
PTK: 162.2316
Rivanicline (TC-2403, RJR-2403, (E)-metanicotine) is a drug which acts as a partial agonist at neural nicotinic acetylcholine receptors. It is subtype-selective, binding primarily to the α4β2 subtype. It has nootropic effects and was originally developed as a potential treatment for Alzheimer's disease, but a second action that was subsequently found was that it inhibits the production of Interleukin-8 and thus produces an antiinflammatory effect, and so it has also been developed as a potential treatment for ulcerative colitis. Rivanicline also has stimulant and analgesic actions which are thought to be mediated through stimulation of noradrenaline release, and so it could potentially also have other applications.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C10H14N2
Phân tử khối
162.2316
Monoisotopic mass
162.115698458
InChI
InChI=1S/C10H14N2/c1-11-7-3-2-5-10-6-4-8-12-9-10/h2,4-6,8-9,11H,3,7H2,1H3/b5-2+
InChI Key
InChIKey=JUOSGGQXEBBCJB-GORDUTHDSA-N
IUPAC Name
methyl[(3E)-4-(pyridin-3-yl)but-3-en-1-yl]amine
Traditional IUPAC Name
rivanicline
SMILES
CNCC\C=C\C1=CN=CC=C1
Độ hòa tan
4.74e+00 g/l
logP
1.21
logS
-1.5
pKa (Strongest Basic)
10.47
PSA
24.92 Å2
Refractivity
52.22 m3·mol-1
Polarizability
19.24 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
2
H Bond Donor Count
1
Physiological Charge
1
Number of Rings
1
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Cơ Chế Tác Dụng : Rivanicline (TC-2403, RJR-2403, (E)-metanicotine) is a drug which acts as a partial agonist at neural nicotinic acetylcholine receptors. It is subtype-selective, binding primarily to the α4β2 subtype. It has nootropic effects and was originally developed as a potential treatment for Alzheimer's disease, but a second action that was subsequently found was that it inhibits the production of Interleukin-8 and thus produces an antiinflammatory effect, and so it has also been developed as a potential treatment for ulcerative colitis. Rivanicline also has stimulant and analgesic actions which are thought to be mediated through stimulation of noradrenaline release, and so it could potentially also have other applications. Rivanicline is a (E)-metanicotine hemigalactarate. It effectively inhibits TNF- and LPS-induced IL-8 production in different cell types.
Chỉ Định : Investigated for use/treatment in ulcerative colitis.
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB05855
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=5310967
ChemSpider
http://www.chemspider.com/Chemical-Structure.4470511.html
BindingDB
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50061561
Wikipedia
http://en.wikipedia.org/wiki/Rivanicline
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