Tìm theo
SLV 306
Thuốc Gốc
Small Molecule
CTHH: C31H38N2O6
PTK: 534.6432
SLV-306 is an orally active mixed neutral endopeptidase/endothelin converting enzyme inhibitor under development by Solvay SA for the treatment of essential hypertension and congestive heart failure and it is in the phase II of clinical trails.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C31H38N2O6
Phân tử khối
534.6432
Monoisotopic mass
534.272986958
InChI
InChI=1S/C31H38N2O6/c1-2-39-29(37)24(15-14-22-10-4-3-5-11-22)20-31(18-8-9-19-31)30(38)32-25-17-16-23-12-6-7-13-26(23)33(28(25)36)21-27(34)35/h3-7,10-13,24-25H,2,8-9,14-21H2,1H3,(H,32,38)(H,34,35)/t24-,25+/m1/s1
InChI Key
InChIKey=XMQODGUTLZXUGZ-RPBOFIJWSA-N
IUPAC Name
2-[(3S)-3-({1-[(2R)-3-ethoxy-3-oxo-2-(2-phenylethyl)propyl]cyclopentane}amido)-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]acetic acid
Traditional IUPAC Name
[(3S)-3-{1-[(2R)-3-ethoxy-3-oxo-2-(2-phenylethyl)propyl]cyclopentaneamido}-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid
SMILES
CCOC(=O)[C@H](CCC1=CC=CC=C1)CC1(CCCC1)C(=O)N[C@H]1CCC2=CC=CC=C2N(CC(O)=O)C1=O
Độ hòa tan
1.50e-03 g/l
logP
5.01
logS
-5.5
pKa (strongest acidic)
3.88
pKa (Strongest Basic)
0.36
PSA
113.01 Å2
Refractivity
145.94 m3·mol-1
Polarizability
57.79 Å3
Rotatable Bond Count
12
H Bond Acceptor Count
5
H Bond Donor Count
2
Physiological Charge
-1
Number of Rings
4
Bioavailability
0
MDDR-Like Rule
true
Cơ Chế Tác Dụng : SLV-306 is an orally active mixed neutral endopeptidase/endothelin converting enzyme inhibitor under development by Solvay SA for the treatment of essential hypertension and congestive heart failure and it is in the phase II of clinical trails. SLV306 increased plasma natriuretic peptides and big endothelin-1 levels in a dose-dependent manner, confirming neutral endopeptidase and endothelin-converting enzyme inhibition. The combined inhibition of neutral endopeptidase and endothelin-converting enzyme may be useful in heart failure by reducing right and left cardiac filling pressures
Chỉ Định : Investigated for use/treatment in congestive heart failure and hypertension.
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB05796
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=3038505
ChemSpider
http://www.chemspider.com/Chemical-Structure.2302069.html
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