Tìm theo
Cinalukast
Các tên gọi khác (2) :
  • 3'-((e)-2-(4-Cyclobutyl-2-thiazolyl)vinyl)-2,2-diethylsuccinanilic acid
  • Cinalukast
Thuốc chống loạn nhịp
Thuốc Gốc
Small Molecule
CAS: 128312-51-6
CTHH: C23H28N2O3S
PTK: 412.545
Used in the treatment of asthma, cinalukast selectively antagonizes leukotriene D4 (LTD4) at the cysteinyl leukotriene receptor, CysLT1, in the human airway. Cinalukast inhibits the actions of LTD4 at the CysLT1 receptor, preventing airway edema, smooth muscle contraction, and enhanced secretion of thick, viscous mucus.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C23H28N2O3S
Phân tử khối
412.545
Monoisotopic mass
412.182063462
InChI
InChI=1S/C23H28N2O3S/c1-3-23(4-2,22(27)28)14-20(26)24-18-10-5-7-16(13-18)11-12-21-25-19(15-29-21)17-8-6-9-17/h5,7,10-13,15,17H,3-4,6,8-9,14H2,1-2H3,(H,24,26)(H,27,28)/b12-11+
InChI Key
InChIKey=BZMKNPGKXJAIDV-VAWYXSNFSA-N
IUPAC Name
3-({3-[(E)-2-(4-cyclobutyl-1,3-thiazol-2-yl)ethenyl]phenyl}carbamoyl)-2,2-diethylpropanoic acid
Traditional IUPAC Name
cinalukast
SMILES
CCC(CC)(CC(=O)NC1=CC=CC(\C=C\C2=NC(=CS2)C2CCC2)=C1)C(O)=O
Độ hòa tan
8.72e-04 g/l
logP
4
logS
-5.7
pKa (strongest acidic)
4.36
pKa (Strongest Basic)
2.44
PSA
79.29 Å2
Refractivity
116.75 m3·mol-1
Polarizability
45.8 Å3
Rotatable Bond Count
9
H Bond Acceptor Count
4
H Bond Donor Count
2
Physiological Charge
-1
Number of Rings
3
Bioavailability
1
Ghose Filter
true
MDDR-Like Rule
true
Dược Lực Học : Used in the treatment of asthma, cinalukast selectively antagonizes leukotriene D4 (LTD4) at the cysteinyl leukotriene receptor, CysLT1, in the human airway. Cinalukast inhibits the actions of LTD4 at the CysLT1 receptor, preventing airway edema, smooth muscle contraction, and enhanced secretion of thick, viscous mucus.
Cơ Chế Tác Dụng : Used in the treatment of asthma, cinalukast selectively antagonizes leukotriene D4 (LTD4) at the cysteinyl leukotriene receptor, CysLT1, in the human airway. Cinalukast inhibits the actions of LTD4 at the CysLT1 receptor, preventing airway edema, smooth muscle contraction, and enhanced secretion of thick, viscous mucus. Binds to the cysteinyl leukotriene receptor. The cysteinyl leukotrienes (LTC4, LTD4, LTE4) are products of arachidonic acid metabolism and are released from various cells, including mast cells and eosinophils. These eicosanoids bind to cysteinyl leukotriene receptors (CysLT) found in the human airway. Cysteinyl leukotrienes and leukotriene receptor occupation have been correlated with the pathophysiology of asthma, including airway edema, smooth muscle contraction, and altered cellular activity associated with the inflammatory process, which contribute to the signs and symptoms of asthma.
Chỉ Định : For Protection against second- phase inflamation in exercise-induced bronchoconstriction and Asthma.
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB00587
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=6436135
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46505799
ChemSpider
http://www.chemspider.com/Chemical-Structure.4940804.html
BindingDB
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50064086
PharmGKB
http://www.pharmgkb.org/drug/PA164743057
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