7-Methyladenine - CAS 935-69-3
Catalog: |
BB040972 |
Product Name: |
7-Methyladenine |
CAS: |
935-69-3 |
Synonyms: |
7H-Purin-6-amine, 7-methyl-; 7-Methyl-7H-purin-6-amine; Adenine, 7-methyl-; 6-Amino-7-methylpurine; N7-Methyladenine; NSC 7857 |
IUPAC Name: | 7-methylpurin-6-amine |
Description: | 7-Methyladenine (CAS# 935-69-3) is a biomarker of DNA damage from exposure to methylating agents. Also, it is a partial agonist for the G protein-coupled receptor in rats. |
Molecular Weight: | 149.15 |
Molecular Formula: | C6H7N5 |
Canonical SMILES: | CN1C=NC2=C1C(=NC=N2)N |
InChI: | InChI=1S/C6H7N5/c1-11-3-10-6-4(11)5(7)8-2-9-6/h2-3H,1H3,(H2,7,8,9) |
InChI Key: | HCGHYQLFMPXSDU-UHFFFAOYSA-N |
Boiling Point: | 385.9±45.0°C at 760 mmHg |
Melting Point: | 344-346°C (dec.) |
Purity: | ≥95% |
Density: | 1.60±0.1 g/cm3 |
Solubility: | Soluble in Aqueous Base (Slightly, Sonicated), DMSO (Sparingly) |
Appearance: | White to Off-white Powder |
Storage: | Store at 2-8°C |
MDL: | MFCD00127790 |
LogP: | 0.52670 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P272, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P333+P313, P337+P313, P363, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22554094 | 20120613 | Gas-phase studies of purine 3-methyladenine DNA glycosylase II (AlkA) substrates | Journal of the American Chemical Society |
22484931 | 20120101 | Effect of the uncharged imidazolium moiety in adenine on endothelium-independent relaxation in the contracted thoracic aorta of Sprague-Dawley rats | Bioscience, biotechnology, and biochemistry |
21695163 | 20110101 | Vorinostat induces reactive oxygen species and DNA damage in acute myeloid leukemia cells | PloS one |
20936169 | 20100919 | Effect of n3-methyladenine and an isosteric stable analogue on DNA polymerization | Journal of nucleic acids |
19142897 | 20090501 | Separation and identification of purine nucleosides in the urine of patients with malignant cancer by reverse phase liquid chromatography/electrospray tandem mass spectrometry | Journal of mass spectrometry : JMS |
Complexity: | 150 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 149.07014524 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 149.07014524 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 69.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.1 |
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