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Home > Indoles and Oxindole > 1006-94-6
1006-94-6 | 1H-Indole, 5-methoxy-
CAS No: 1006-94-6 Catalog No: AG0002GY MDL No:MFCD00005674
Product Description
Catalog Number:
AG0002GY
Chemical Name:
1H-Indole, 5-methoxy-
CAS Number:
1006-94-6
Molecular Formula:
C9H9NO
Molecular Weight:
147.1739
MDL Number:
MFCD00005674
IUPAC Name:
5-methoxy-1H-indole
InChI:
InChI=1S/C9H9NO/c1-11-8-2-3-9-7(6-8)4-5-10-9/h2-6,10H,1H3
InChI Key:
DWAQDRSOVMLGRQ-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)cc[nH]2
EC Number:
213-745-3
UNII:
DQM3AS43PQ
NSC Number:
521752
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.068g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
147.177g/mol
Monoisotopic Mass:
147.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| Assessment of the pharmacological properties of 5-methoxyindole derivatives at 5-HT4 receptors. | The Journal of pharmacy and pharmacology 20120801 |
| Prospective acetylcholinesterase inhibitory activity of indole and its analogs. | Bioorganic & medicinal chemistry letters 20120415 |
| Ethyl 3,3,3-trifluoro-2-hy-droxy-2-(5-meth-oxy-1H-indol-3-yl)propionate. | Acta crystallographica. Section E, Structure reports online 20110701 |
| 1,6-Dihydro-2H-indeno[5,4-b]furan derivatives: design, synthesis, and pharmacological characterization of a novel class of highly potent MT₂-selective agonists. | Journal of medicinal chemistry 20110512 |
| 2-(1-Ethyl-5-meth-oxy-1H-indol-3-yl)-N-isopropyl-2-oxoacetamide. | Acta crystallographica. Section E, Structure reports online 20110501 |
| ATP-binding site of bacterial enzymes as a target for antibacterial drug design. | Journal of medicinal chemistry 20110224 |
| N-Cyclo-hexyl-2-(5-meth-oxy-1H-indol-3-yl)-2-oxoacetamide. | Acta crystallographica. Section E, Structure reports online 20110201 |
| 2-(1-Ethyl-5-meth-oxy-1H-indol-3-yl)-N-(4-meth-oxy-phen-yl)-2-oxoacetamide. | Acta crystallographica. Section E, Structure reports online 20110201 |
| Mechanism for the direct synthesis of tryptophan from indole and serine: a useful NMR technique for the detection of a reactive intermediate in the reaction mixture. | Magnetic resonance in chemistry : MRC 20101001 |
| Rotationally resolved electronic spectroscopy of 5-methoxyindole. | The Journal of chemical physics 20100714 |
| 5-Meth-oxy-1-(3,4,5-trimethoxy-phen-yl)-1H-indole. | Acta crystallographica. Section E, Structure reports online 20100701 |
| Optimization of the interligand Overhauser effect for fragment linking: application to inhibitor discovery against Mycobacterium tuberculosis pantothenate synthetase. | Journal of the American Chemical Society 20100407 |
| The synthesis of 2- and 3-aryl indoles and 1,3,4,5-tetrahydropyrano[4,3-b]indoles and their antibacterial and antifungal activity. | Bioorganic & medicinal chemistry letters 20090901 |
| Application of fragment growing and fragment linking to the discovery of inhibitors of Mycobacterium tuberculosis pantothenate synthetase. | Angewandte Chemie (International ed. in English) 20090101 |
| 4-Des-oxy-4β-[(5-meth-oxy-1H-indol-3-yl)oxalylamino]podophyllotoxin methanol solvate. | Acta crystallographica. Section E, Structure reports online 20081201 |
| Functional expression and comparative characterization of nine murine cytochromes P450 by fluorescent inhibition screening. | Drug metabolism and disposition: the biological fate of chemicals 20080701 |
| The 5-HT3B subunit confers spontaneous channel opening and altered ligand properties of the 5-HT3 receptor. | The Journal of biological chemistry 20080314 |
| Biological targets for isatin and its analogues: Implications for therapy. | Biologics : targets & therapy 20070601 |
| Nucleophilic reactivities of indoles. | The Journal of organic chemistry 20061124 |
| Simultaneous liquid chromatographic measurement of melatonin and related indoles through post-column electrochemical demethylation and fluorescence derivatization. | Analytical sciences : the international journal of the Japan Society for Analytical Chemistry 20060201 |
| Indole ring oxidation by activated leukocytes prevents the production of hypochlorous acid. | Brazilian journal of medical and biological research = Revista brasileira de pesquisas medicas e biologicas 20051101 |
| Generation of new protein kinase inhibitors utilizing cytochrome p450 mutant enzymes for indigoid synthesis. | Journal of medicinal chemistry 20040603 |
| Daily variation in the concentration of melatonin and 5-methoxytryptophol in the goose pineal gland, retina, and plasma. | General and comparative endocrinology 20031201 |
| Daily variation in the concentration of 5-methoxytryptophol and melatonin in the duck pineal gland and plasma. | Journal of pineal research 20020501 |
| A simple procedure for synthesis of roxindole, a dopamine D2-receptor agonist. | Archiv der Pharmazie 20010701 |
| Development of a pharmacophore for inhibition of human liver cytochrome P-450 2D6: molecular modeling and inhibition studies. | Journal of medicinal chemistry 19930430 |
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