Lot numbers can be found on the outside label of a product:
6-Methyl-2-(methylthio)-1H-pyrimidin-4-one
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CAS No. 6328-58-1
- Cat. No. CS-W019893
- Purity≥95%
- MDL No.MFCD00127898
*For research and further manufacturing use only, not for direct human use.
Structure of 6328-58-1
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General Information
- CAS No. 6328-58-1
- Cat. No. CS-W019893
- Purity ≥95%
- MDL No. MFCD00127898
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₆H₈N₂OS
- Molecular Weight 156.21
- Synonym(s) 6-Methyl-2-(methylthio)-4(3H)-pyrimidinone; 6-Methyl-2-(methylthio)-4-hydroxypyrimidine; 6-Methyl-2-(methylthio)-4-pyrimidone; NSC 193525; NSC 37678; 6-methyl-2-mercapto-4-hydroxypyrimidine
- SMILES CSC(N1)=NC(C)=CC1=O
Description
6-Methyl-2-(methylthio)-1H-pyrimidin-4-one is a bench-stable heterocyclic scaffold featuring a methylthio group at C2 and a methyl substituent at C6, enhancing electronic modulation and solubility. This electron-deficient pyrimidinone integrates readily into medicinal chemistry libraries, serving as a key building block for kinase inhibitors and bioactive small molecules.
Application
6-Methyl-2-(methylthio)-1H-pyrimidin-4-one serves as a versatile building block in medicinal chemistry, enabling efficient access to pyrimidine-based scaffolds. Its methylthio group facilitates selective transformations, while the keto and methyl functionalities support diverse functionalization via nucleophilic substitution or cross-coupling reactions. The compound exhibits good bench stability and is compatible with standard purification methods, making it well-suited for iterative synthesis workflows in drug discovery.
Synthesis
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References
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EXELIXIS, INC. Patent: WO2007/44698 A1, 2007 ; Location in patent: Page/Page column 62 ; WO 2007/044698 A1
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Route2
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In-stock
56-04-2 -
74-88-4 - ~68%
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In-stock
6328-58-1
References
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Girijavallabhan, Vinay M.; Alvarez, Carmen; Bennett, Frank; Chen, Lei; Gavalas, Stephen; Huang, Yuhua; Kim, Seong-Heon; Kosinski, Aneta; Pinto, Patrick; Rizvi, Razia; Rossman, Randall; Shankar, Bandarpalle; Tong, Ling; Velazquez, Francisco; Venkatraman, Srikanth; Verma, Vishal A.; Kozlowski, Joseph; Shih, Neng-Yang; Piwinski, John J.; MacCoss, Malcolm; Kwong, Cecil D.; Bansal, Namita; Clark, Jeremy L.; Fowler, Anita T.; Kezar III, Hollis S.; Valiyaveettil, Jacob; Reynolds, Robert C.; Maddry, Joseph A.; Ananthan, Subramaniam; Secrist III, John A.; Li, Cheng; Chase, Robert; Curry, Stephanie; Huang, Hsueh-Cheng; Tong, Xiao; Njoroge, F. George; Arasappan, Ashok Bioorganic and Medicinal Chemistry Letters, 2012 , vol. 22, # 17 p. 5652 - 5657
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References
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Bizzo, Humberto R.; Antunes; Gemal, Andre L. Heterocyclic Communications, 2003 , vol. 9, # 4 p. 359 - 362
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS05,GHS07
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Signal Word : Danger
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UN#: 3262
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Class : 8
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Packing Group : Ⅲ
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Hazard Statements : H302-H315-H318-H335
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Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 45.75
- LogP 0.80022
- H_Acceptors 3
- H_Donors 1
- Rotatable_Bonds 1
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Key Words
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