| Identification | Back Directory | [Name]
4-Amino-2-(methylthio)pyrimidine-5-carbaldehyde | [CAS]
770-31-0 | [Synonyms]
2-METHYLTHIO 4-AMINO 5-FORMYL PYRIMIDINE
4-AMINO-2-METHYLTHIO-PYRIMIDINE-5-CARBALDEHYDE
4-AMino-2-(Methylthio)-5-pyriMidinecarboxaldehyde
4-Amino-2-(methylthio)pyrimidine-5-carboxaldehyde
5-PYRIMIDINECARBOXALDEHYDE, 4-AMINO-2-(METHYLTHIO)-
4-aMino-2-Methanesulfanyl-pyriMidine-5-carboxaldehyde
4-Amino-2-(methylthio)pyrimidine-5-carbaldehyde ISO 9001：2015 REACH | [EINECS(EC#)]
220-644-8 | [Molecular Formula]
C6H7N3OS | [MDL Number]
MFCD08669438 | [MOL File]
770-31-0.mol | [Molecular Weight]
169.2 |
| Chemical Properties | Back Directory | [Melting point ]
183-184 °C | [Boiling point ]
379.7±27.0 °C(Predicted) | [density ]
1.37 | [storage temp. ]
Keep in dark place,Inert atmosphere,2-8°C | [form ]
solid | [pka]
2.50±0.10(Predicted) | [color ]
White | [InChI]
InChI=1S/C6H7N3OS/c1-11-6-8-2-4(3-10)5(7)9-6/h2-3H,1H3,(H2,7,8,9) | [InChIKey]
FGONQMFYFJRAIG-UHFFFAOYSA-N | [SMILES]
C1(SC)=NC=C(C=O)C(N)=N1 |
| Hazard Information | Back Directory | [Uses]
4-Amino-2-(methylthio)pyrimidine-5-carbaldehyde can be used for the preparation of pyridopyrimidines and naphthyridines as inhibitors of Akt kinase for the treatment of cancer.
| [Synthesis]
Method A: Manganese dioxide (MnO2, 49.8 g, 572 mmol) was added to a chloroform (818 mL) suspension of 4-amino-2-(methylthio)pyrimidin-5-ylmethanol (28 g, 164 mmol), and the reaction mixture was stirred for 4 hours at 55°C (internal temperature). After completion of the reaction, the reaction mixture was filtered while hot and the filter cake was washed with hot chloroform and tetrahydrofuran (THF). The filtrates were combined, concentrated under reduced pressure and subsequently dried under vacuum to afford 4-amino-2-methylmercaptopyrimidine-5-carbaldehyde (26.7 g, 96% yield) as a light yellow solid. Mass spectrometry (MS) data: m/z 170.1 ([M+H]+). | [References]
[1] Journal of Medicinal Chemistry, 2000, vol. 43, # 24, p. 4606 - 4616
[2] Patent: WO2013/134243, 2013, A1. Location in patent: Page/Page column 17
[3] Journal of Medicinal Chemistry, 2015, vol. 58, # 10, p. 4165 - 4179
[4] Patent: WO2014/182829, 2014, A1. Location in patent: Page/Page column 42
[5] Patent: WO2016/191172, 2016, A1. Location in patent: Page/Page column 57 |
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