Lot numbers can be found on the outside label of a product:
7-Deazaxanthine
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CAS No. 39929-79-8
- Cat. No. CS-D0916
- Purity≥98%
- MDL No.MFCD08059284
*For research and further manufacturing use only, not for direct human use.
Structure of 39929-79-8
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General Information
- CAS No. 39929-79-8
- Cat. No. CS-D0916
- Purity ≥98%
- MDL No. MFCD08059284
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₆H₅N₃O₂
- Molecular Weight 151.12
- Synonym(s) 7DX
- SMILES O=C1NC(C2=C(N1)NC=C2)=O
Description
7-Deazaxanthine is a purine analog featuring a nitrogen atom at the 7-position replaced by carbon, enhancing metabolic stability and altering electronic properties. This structural modification improves solubility and resistance to enzymatic degradation, making it valuable for nucleoside analog synthesis and biochemical probe development.
Application
7-Deazaxanthine serves as a valuable purine scaffold for medicinal chemistry and nucleoside analog synthesis, offering enhanced metabolic stability over natural xanthine derivatives. Its functional group tolerance enables straightforward derivatization in standard coupling and alkylation reactions, while the absence of the N7 nitrogen simplifies regioselective modifications. The compound exhibits good bench stability and facilitates purification via crystallization or chromatography, making it well-suited for scalable synthetic workflows.
Synthesis
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Route1
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107-20-0 -
873-83-6 - ~98%
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In-stock
39929-79-8
References
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Chen, Zecheng; Venkatesan, Aranapakam M.; Dehnhardt, Christoph M.; Ayral-Kaloustian, Semiramis; Brooijmans, Natasja; Mallon, Robert; Feldberg, Larry; Hollander, Irwin; Lucas, Judy; Yu, Ker; Kong, Fangming; Mansour, Tarek S. Journal of Medicinal Chemistry, 2010 , vol. 53, # 8 p. 3169 - 3182
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Route2
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52133-67-2 -
In-stock
57-13-6 - ~90%
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In-stock
39929-79-8
References
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Xie, Hui; Zeng, Lili; Zeng, Shaogao; Lu, Xin; Zhang, Guicheng; Zhao, Xin; Cheng, Na; Tu, Zhengchao; Li, Zhiyuan; Xu, Hongjiang; Yang, Ling; Zhang, Xiquan; Huang, Min; Zhao, Junling; Hu, Wenhui European Journal of Medicinal Chemistry, 2012 , vol. 52, p. 205 - 212
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Route3
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102879-75-4
- ~81%
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In-stock
39929-79-8
References
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VERNALIS (R and D) LTD. Patent: WO2007/104944 A1, 2007 ; Location in patent: Page/Page column 38 ;
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS07
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Signal Word : Warning
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UN#: N/A
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Class : N/A
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Packing Group : N/A
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Hazard Statements : H302-H315-H319-H335
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Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 82.03
- LogP 0.3691
- H_Acceptors 4
- H_Donors 3
- Rotatable_Bonds 0
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