M7636
1-Methylthymine
别名:
1-MethylH, 1MT, 2,4-Dihydroxy-1,5-dimethylpyrimidine
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关于此项目
经验公式（希尔记法）:
C6H8N2O2
化学文摘社编号:
分子量:
140.14
NACRES:
NA.51
PubChem Substance ID:
UNSPSC Code:
41106305
MDL number:
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
InChI
1S/C6H8N2O2/c1-4-3-8(2)6(10)7-5(4)9/h3H,1-2H3,(H,7,9,10)
SMILES string
CN1C=C(C)C(=O)NC1=O
InChI key
GKMIDMKPBOUSBQ-UHFFFAOYSA-N
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
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.
存储类别
13 - Non Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
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
E Sagstuen et al.
Radiation research, 146(4), 425-435 (1996-10-01)
Single crystals of the complex 1-methylthymine.9-methyl-adenine were X -irradiated at 10 and at 65 K and studied in the temperature range 10 to 290 K using K-band EPR, ENDOR and field-swept ENDOR (FSE) techniques. The EPR and ENDOR spectra are
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