Tìm theo
Sitamaquine
Các tên gọi khác (2) :
  • 8-aminoquinoline
  • WR-6026
antimalarials
Thuốc Gốc
Small Molecule
CAS: 57695-04-2
CTHH: C21H33N3O
PTK: 343.5062
Sitamaquine (WR-6026) is an orally active 8-aminoquinoline analog in development by the Walter Reed Army Institute, in collaboration with GlaxoSmithKline (formerly SmithKline Beecham), for the potential treatment of visceral leishmaniasis.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C21H33N3O
Phân tử khối
343.5062
Monoisotopic mass
343.262362693
InChI
InChI=1S/C21H33N3O/c1-5-24(6-2)14-10-8-7-9-12-22-20-16-18(25-4)15-19-17(3)11-13-23-21(19)20/h11,13,15-16,22H,5-10,12,14H2,1-4H3
InChI Key
InChIKey=RVAKDGYPIVSYEU-UHFFFAOYSA-N
IUPAC Name
diethyl({6-[(6-methoxy-4-methylquinolin-8-yl)amino]hexyl})amine
Traditional IUPAC Name
diethyl({6-[(6-methoxy-4-methylquinolin-8-yl)amino]hexyl})amine
SMILES
CCN(CC)CCCCCCNC1=CC(OC)=CC2=C(C)C=CN=C12
Độ hòa tan
1.34e-02 g/l
logP
4.16
logS
-4.4
pKa (strongest acidic)
17.89
pKa (Strongest Basic)
10.33
PSA
37.39 Å2
Refractivity
107.91 m3·mol-1
Polarizability
42.88 Å3
Rotatable Bond Count
11
H Bond Acceptor Count
4
H Bond Donor Count
1
Physiological Charge
1
Number of Rings
2
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Cơ Chế Tác Dụng : Sitamaquine (WR-6026) is an orally active 8-aminoquinoline analog in development by the Walter Reed Army Institute, in collaboration with GlaxoSmithKline (formerly SmithKline Beecham), for the potential treatment of visceral leishmaniasis. The mechanism of plasmodicidal action of sitamaquine is not completely understood. Like other quinoline derivatives, it is thought to inhibit heme polymerase activity. This results in accumulation of free heme, which is toxic to the parasites.
Chỉ Định : Investigated for use/treatment in infectious and parasitic disease (unspecified).
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB04909
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=42548
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=14778161
ChemSpider
http://www.chemspider.com/Chemical-Structure.38806.html
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