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
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
José Ruiz et al.
Inorganic chemistry, 45(16), 6347-6360 (2006-08-02)
Pd(II) and Pt(II) complexes with the anions of the model nucleobases 1-methylthymine (1-MethyH), 1-methyluracil (1-MeuraH), and 1-methylcytosine (1-MecytH) of the types [Pd(dmba)(mu-L)]2 [dmba = N,C-chelating 2-((dimethylamino)methyl)phenyl; L = 1-Methy, 1-Meura or 1-Mecyt] and [M(dmba)(L)(L')] [L = 1-Methy or 1-Meura; L'
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
Rikke B Holmgaard et al.
The Journal of experimental medicine, 210(7), 1389-1402 (2013-06-12)
The cytotoxic T lymphocyte antigen-4 (CTLA-4)-blocking antibody ipilimumab results in durable responses in metastatic melanoma, though therapeutic benefit has been limited to a fraction of patients. This calls for identification of resistance mechanisms and development of combinatorial strategies. Here, we
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
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