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Home > Pyridines > 124436-59-5
124436-59-5 | Benzoic acid, 4-[2-[1-(6-methyl-3-pyridazinyl)-4-piperidinyl]ethoxy]-, ethyl ester
CAS No: 124436-59-5 Catalog No: AG000M0M MDL No:MFCD00866965
Product Description
Catalog Number:
AG000M0M
Chemical Name:
Benzoic acid, 4-[2-[1-(6-methyl-3-pyridazinyl)-4-piperidinyl]ethoxy]-, ethyl ester
CAS Number:
124436-59-5
Molecular Formula:
C21H27N3O3
Molecular Weight:
369.4574
MDL Number:
MFCD00866965
IUPAC Name:
ethyl 4-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]benzoate
InChI:
InChI=1S/C21H27N3O3/c1-3-26-21(25)18-5-7-19(8-6-18)27-15-12-17-10-13-24(14-11-17)20-9-4-16(2)22-23-20/h4-9,17H,3,10-15H2,1-2H3
InChI Key:
KCHIOGFOPPOUJC-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1)OCCC1CCN(CC1)c1ccc(nn1)C
UNII:
BML697718K
Properties
Complexity:
446
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369.205g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
369.465g/mol
Monoisotopic Mass:
369.205g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Literature
| Title | Journal |
|---|---|
| Study of the biological activity of novel synthetic compounds with antiviral properties against human rhinoviruses. | Molecules (Basel, Switzerland) 20110426 |
| Pharmacophore-based design, synthesis, and biological evaluation of novel chloro-pyridazine piperazines as human rhinovirus (HRV-3) inhibitors. | Bioorganic & medicinal chemistry letters 20110201 |
| [Establishment of isolated rabbit airway smooth muscles responsiveness model for the pharmacodynamic study of anti-rhinoviruses drugs]. | Yao xue xue bao = Acta pharmaceutica Sinica 20100401 |
| Synthesis and evaluation of novel chloropyridazine derivatives as potent human rhinovirus (HRV) capsid-binding inhibitors. | Bioorganic & medicinal chemistry 20090115 |
| Isothiazole derivatives as antiviral agents. | Antiviral chemistry & chemotherapy 20070101 |
| 2-Ethoxybenzoxazole as a bioisosteric replacement of an ethyl benzoate group in a human rhinovirus (HRV) capsid binder. | Bioorganic & medicinal chemistry letters 20050415 |
| In vitro activity of expanded-spectrum pyridazinyl oxime ethers related to pirodavir: novel capsid-binding inhibitors with potent antipicornavirus activity. | Antimicrobial agents and chemotherapy 20040501 |
| Structure-based design, synthesis, and biological evaluation of irreversible human rhinovirus 3C protease inhibitors. 8. Pharmacological optimization of orally bioavailable 2-pyridone-containing peptidomimetics. | Journal of medicinal chemistry 20031009 |
| An orally bioavailable oxime ether capsid binder with potent activity against human rhinovirus. | Journal of medicinal chemistry 20030717 |
| Synthesis of new 3-methylthio-5-aryl-4-isothiazolecarbonitriles with broad antiviral spectrum. | Antiviral research 20020801 |
| Structure-based design, synthesis, and biological evaluation of irreversible human rhinovirus 3C protease inhibitors. 6. Structure-activity studies of orally bioavailable, 2-pyridone-containing peptidomimetics. | Journal of medicinal chemistry 20020411 |
| The viral protein 3CD induces an equilibrium between the viral protein and RNA synthesis in a cell-free system for poliovirus replication. | Archives of virology 20020401 |
| In vitro antiviral activity of AG7088, a potent inhibitor of human rhinovirus 3C protease. | Antimicrobial agents and chemotherapy 19991001 |
| Structure-based design, synthesis, and biological evaluation of irreversible human rhinovirus 3C protease inhibitors. 4. Incorporation of P1 lactam moieties as L-glutamine replacements. | Journal of medicinal chemistry 19990408 |
| In vitro studies of the antirhinovirus activity of soluble intercellular adhesion molecule-1. | Antimicrobial agents and chemotherapy 19920601 |
| In vitro activity of pirodavir (R 77975), a substituted phenoxy-pyridazinamine with broad-spectrum antipicornaviral activity. | Antimicrobial agents and chemotherapy 19920101 |
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