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162256-50-0 | 2(5H)-Furanone, 3-(1,3-benzodioxol-5-yl)-5-hydroxy-5-(4-methoxyphenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]-
CAS No: 162256-50-0 Catalog No: AG001SXS MDL No:
Product Description
Catalog Number:
AG001SXS
Chemical Name:
2(5H)-Furanone, 3-(1,3-benzodioxol-5-yl)-5-hydroxy-5-(4-methoxyphenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]-
CAS Number:
162256-50-0
Molecular Formula:
C28H26O9
Molecular Weight:
506.5006
IUPAC Name:
3-(1,3-benzodioxol-5-yl)-5-hydroxy-5-(4-methoxyphenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]furan-2-one
InChI:
InChI=1S/C28H26O9/c1-31-19-8-6-18(7-9-19)28(30)20(11-16-12-23(32-2)26(34-4)24(13-16)33-3)25(27(29)37-28)17-5-10-21-22(14-17)36-15-35-21/h5-10,12-14,30H,11,15H2,1-4H3
InChI Key:
PWIPORDFWDZCJG-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cc(OC)c(c(c1)OC)OC)c1ccc2c(c1)OCO2
Properties
Complexity:
824
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
506.158g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
506.507g/mol
Monoisotopic Mass:
506.158g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4
Literature
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|---|---|
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| Development and evaluation of endothelin-A receptor (radio)ligands for positron emission tomography. | Journal of medicinal chemistry 20110224 |
| The separate roles of endothelin receptors participate in remodeling of matrix metalloproteinase and connexin 43 of cardiac fibroblasts in maladaptive response to isoproterenol. | European journal of pharmacology 20100525 |
| A fluorescent photoprobe for the imaging of endothelin receptors. | Bioconjugate chemistry 20070101 |
| Nitric oxide decreases surfactant protein gene expression in primary cultures of type II pneumocytes. | American journal of physiology. Lung cellular and molecular physiology 20050501 |
| Inhibition of in vivo constriction of fetal ductus arteriosus by endothelin receptor blockade in rats. | Pediatric research 20030301 |
| Antiarrhythmic effect of endothelin-A receptor antagonist on acute ischemic arrhythmia in isolated rat heart. | Acta pharmacologica Sinica 20030101 |
| The endothelin A receptor antagonists PD 156707 (CI-1020) and PD 180988 (CI-1034) reverse the hypoxic pulmonary vasoconstriction in the perinatal lamb. | The Journal of pharmacology and experimental therapeutics 20020801 |
| ETA receptor antagonists inhibit intimal smooth muscle cell proliferation in human vessels. | Clinical science (London, England : 1979) 20020801 |
| Nitric oxide-endothelin-1 interactions after acute ductal constriction in fetal lambs. | American journal of physiology. Heart and circulatory physiology 20020301 |
| ET-1 stimulates pulmonary arterial smooth muscle cell proliferation via induction of reactive oxygen species. | American journal of physiology. Lung cellular and molecular physiology 20011101 |
| Vasoconstrictor activity of novel endothelin peptide, ET-1(1 - 31), in human mammary and coronary arteries in vitro. | British journal of pharmacology 20011101 |
| Role for endothelin-1-induced superoxide and peroxynitrite production in rebound pulmonary hypertension associated with inhaled nitric oxide therapy. | Circulation research 20010817 |
| Affinity and selectivity of PD156707, a novel nonpeptide endothelin antagonist, for human ET(A) and ET(B) receptors. | The Journal of pharmacology and experimental therapeutics 19970201 |
| 2,4-Diarylpyrrolidine-3-carboxylic acids--potent ETA selective endothelin receptor antagonists. 1. Discovery of A-127722. | Journal of medicinal chemistry 19960301 |
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