| Weight | 209.249 g/mol |
|---|---|
| Formula | C10H15N3O2 |
| Hydrogen Acceptors | 4 |
| Hydrogen Donors | 1 |
| Aromatic Rings | 1 |
| Rotatable Bonds | 6 |
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- Transport of the -O-Glucuronide Conjugate of the Tobacco-specific Carcinogen 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol (NNAL) by the Multidrug Resistance Protein 1 (MRP1) REQUIREMENT FOR GLUTATHIONE OR A NON-SULFUR-CONTAINING ANALOG (Journal of Biological Chemistry, 2001)
- O-glucuronidation of the lung carcinogen 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanol (NNAL) by human UDP-glucuronosyltransferases 2B7 and 1A9 (Drug Metabolism and Disposition, 2000)
- Characterization of N-glucuronidation of the lung carcinogen 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanol (NNAL) in human liver: importance of UDP-glucuronosyltransferase 1A4. (Drug Metabolism and Disposition, 2004)
- Analysis of Total 4-(Methylnitrosamino)-1-(3-Pyridyl)-1-Butanol (NNAL) in Human Urine (Cancer Epidemiology, Biomarkers & Prevention, 2003)
- Comparison of urine cotinine and the tobacco-specific nitrosamine metabolite 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanol (NNAL) and their ratio to discriminate active from passive smoking. (Nicotine & Tobacco Research, 2011)
- Genotype-phenotype correlation between the polymorphic UGT2B17 gene deletion and NNAL glucuronidation activities in human liver microsomes (Pharmacogenetics and Genomics, 2005)
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SMILESCN(CCCC(C1=CN=CC=C1)O)N=O
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InChIKeyOGRXKBUCZFFSTL-UHFFFAOYSA-N
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Synthesis
Reactant
+
3-CHLOROPYRIDINE
(Grignard alcohol)
Methylboronic acid
+
Reactant
(Chan-Lam coupling reaction)
Pyridine
+
Reactant
(Friedel-Crafts alkylation)
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