Tìm theo
Darusentan
Thuốc Gốc
Small Molecule
CAS: 171714-84-4
CTHH: C22H22N2O6
PTK: 410.4199
Darusentan is a selective endothelin ETA receptor antagonist. It is being evaluated as a treatment for congestive heart failure and hypertension.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C22H22N2O6
Phân tử khối
410.4199
Monoisotopic mass
410.147786446
InChI
InChI=1S/C22H22N2O6/c1-27-17-14-18(28-2)24-21(23-17)30-19(20(25)26)22(29-3,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-14,19H,1-3H3,(H,25,26)/t19-/m1/s1
InChI Key
InChIKey=FEJVSJIALLTFRP-LJQANCHMSA-N
IUPAC Name
(2S)-2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-3-methoxy-3,3-diphenylpropanoic acid
Traditional IUPAC Name
darusentan
SMILES
COC1=CC(OC)=NC(O[C@H](C(O)=O)C(OC)(C2=CC=CC=C2)C2=CC=CC=C2)=N1
Độ hòa tan
9.94e-02 g/l
logP
4.38
logS
-3.6
pKa (strongest acidic)
3.2
pKa (Strongest Basic)
-0.17
PSA
100 Å2
Refractivity
108.54 m3·mol-1
Polarizability
41.18 Å3
Rotatable Bond Count
9
H Bond Acceptor Count
8
H Bond Donor Count
1
Physiological Charge
-1
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
MDDR-Like Rule
true
Dược Lực Học : Darusentan is a selective endothelin ETA receptor antagonist.
Cơ Chế Tác Dụng : Darusentan is a selective endothelin ETA receptor antagonist. It is being evaluated as a treatment for congestive heart failure and hypertension. The mode of action by which the endothelin receptor antagonists cause a decrease of the BP is not yet totally elucidated; however, peripheral vasodilatation due to blockade of the vasoconstrictor effects of endothelin is the most likely explanation. A reduction of cardiac contractility is considered unlikely. Several studies have been published that investigated the effects of either selective or nonselective endothelin receptor blockade in patients with heart failure. In these studies, application of endothelin antagonists, while decreasing both systemic and pulmonary BP increased cardiac index and did not alter cardiac contractility or heart rate.
Chỉ Định : For the treatment of congestive heart failure and hypertension.
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB04883
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=177236
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=10258564
ChemSpider
http://www.chemspider.com/Chemical-Structure.154336.html
BindingDB
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108202
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