M7636
1-Methylthymine
Synonym(s):
1-MethylH, 1MT, 2,4-Dihydroxy-1,5-dimethylpyrimidine
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About This Item
Empirical Formula (Hill Notation):
C6H8N2O2
CAS Number:
Molecular Weight:
140.14
MDL number:
UNSPSC Code:
41106305
PubChem Substance ID:
NACRES:
NA.51
Recommended Products
assay
≥98% (HPLC)
form
powder
solubility
methanol: 10 mg/mL, clear to very slightly hazy, colorless to very faintly yellow
storage temp.
2-8°C
SMILES string
CN1C=C(C)C(=O)NC1=O
InChI
1S/C6H8N2O2/c1-4-3-8(2)6(10)7-5(4)9/h3H,1-2H3,(H,7,9,10)
InChI key
GKMIDMKPBOUSBQ-UHFFFAOYSA-N
Application
1-Methylthymine (1MT) is used in studies of electronic and vibrational spectra, tautomer stabilization using PtII complexes, the "dark state" of isolated 1MT, and AT-analog base pairing.
Storage Class
13 - Non Combustible Solids
wgk_germany
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
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Tushar van der Wijst et al.
Chemistry (Weinheim an der Bergstrasse, Germany), 15(1), 209-218 (2008-12-06)
We have computationally explored how the relative stabilities of 1-methyluracil (1-MeUH) tautomers can be tuned through coordination of these tautomers to Pt(II) complexes with a particular set of ligands. This has been done using density functional theory at the BP86/TZ2P
Petr Jurecka et al.
Journal of the American Chemical Society, 125(50), 15608-15613 (2003-12-11)
Planar H-bonded and stacked structures of guanine...cytosine (G.C), adenine...thymine (A...T), 9-methylguanine...1-methylcytosine (mG...mC), and 9-methyladenine...1-methylthymine (mA...mT) were optimized at the RI-MP2 level using the TZVPP ([5s3p2d1f/3s2p1d]) basis set. Planar H-bonded structures of G...C, mG...mC, and A...T correspond to the Watson-Crick (WC)
Mihajlo Etinski et al.
The journal of physical chemistry. A, 113(43), 11809-11816 (2009-08-13)
The ground and low-lying excited states of the pyrimidine nucleo bases uracil, thymine, and 1-methylthymine have been characterized using ab initio coupled-cluster with approximate doubles (CC2) and a combination of density functional theory (DFT) and semiempirical multireference configuration interaction (MRCI)
Henrique Lemos et al.
Journal for immunotherapy of cancer, 8(2) (2020-08-28)
Activating the Stimulator of Interferon Genes (STING) adaptor incites antitumor immunity against immunogenic tumors in mice, prompting clinical trials to test STING activators. However, STING signaling in the tumor microenvironment (TME) during development of Lewis lung carcinoma (LLC) suppresses antitumor
T Ito et al.
International journal of radiation biology, 76(5), 683-692 (2000-06-24)
The nucleophilic addition properties of carbon dioxide radical anion (CO2*-) towards N1-substituted thymine derivatives in aqueous solution is studied for comparison with their one-electron reducing reactivity. N2O-Saturated aqueous solutions of 1-methylthymine, 1,3-dimethylthymine, and thymidylyl(3'-->5')-thymidine containing excess formate ions were gamma-irradiated
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