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126861-72-1 | Phenol, 4-(2-amino-1-methyl-1H-imidazo[4,5-b]pyridin-6-yl)-
CAS No: 126861-72-1 Catalog No: AG000TE6 MDL No:
Product Description
Catalog Number:
AG000TE6
Chemical Name:
Phenol, 4-(2-amino-1-methyl-1H-imidazo[4,5-b]pyridin-6-yl)-
CAS Number:
126861-72-1
Molecular Formula:
C13H12N4O
Molecular Weight:
240.2606
IUPAC Name:
4-(2-amino-1-methylimidazo[4,5-b]pyridin-6-yl)phenol
InChI:
InChI=1S/C13H12N4O/c1-17-11-6-9(7-15-12(11)16-13(17)14)8-2-4-10(18)5-3-8/h2-7,18H,1H3,(H2,14,15,16)
InChI Key:
UGJXOCBVCWTJFP-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)c1cnc2c(c1)n(C)c(n2)N
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.101g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
240.266g/mol
Monoisotopic Mass:
240.101g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
77A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| Aberrant activation of M phase proteins by cell proliferation-evoking carcinogens after 28-day administration in rats. | Toxicology letters 20130607 |
| Hollow fibre-supported liquid membrane extraction and LC-MS/MS detection for the analysis of heterocyclic amines in urine samples. | Molecular nutrition & food research 20091201 |
| Quantitative investigation of the role of breast cancer resistance protein (Bcrp/Abcg2) in limiting brain and testis penetration of xenobiotic compounds. | Drug metabolism and disposition: the biological fate of chemicals 20080601 |
| Liquid chromatography-tandem mass spectrometry analysis of 2-amino-1-methyl-6-(4-hydroxyphenyl)imidazo[4,5-b]pyridine in cooked meats. | Journal of agricultural and food chemistry 20071031 |
| Mouse lung CYP1A1 catalyzes the metabolic activation of 2-amino-1-methyl-6-phenylimidazo[4,5-b]pyridine (PhIP). | Carcinogenesis 20070301 |
| A comprehensive investigation of 2-amino-1-methyl-6-phenylimidazo[4,5-b]pyridine (PhIP) metabolism in the mouse using a multivariate data analysis approach. | Chemical research in toxicology 20070301 |
| Differential metabolism of 2-amino-1-methyl-6-phenylimidazo[4,5-b]pyridine (PhIP) in mice humanized for CYP1A1 and CYP1A2. | Chemical research in toxicology 20050901 |
| Relationship between content and activity of cytochrome P450 and induction of heterocyclic amine DNA adducts in human liver samples in vivo and in vitro. | Cancer epidemiology, biomarkers & prevention : a publication of the American Association for Cancer Research, cosponsored by the American Society of Preventive Oncology 20040601 |
| Analytical method of 2-amino-1-methyl-6-phenylimidazo[4,5-b]pyridine in human hair by column-switching liquid chromatography-mass spectrometry. | Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20040425 |
| Metabolism of heterocyclic aromatic amines by human hepatocytes and cytochrome P4501A2. | Mutation research 20020930 |
| Differential metabolism of 2-amino-1-methyl-6-phenylimidazo[4,5-b]pyridine in rat and human hepatocytes. | Carcinogenesis 20020101 |
| Primary cultures of prostate cells and their ability to activate carcinogens. | Prostate cancer and prostatic diseases 20020101 |
| Enzymatic characterization and interspecies difference of phenol sulfotransferases, ST1A forms. | Drug metabolism and disposition: the biological fate of chemicals 20010301 |
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