Lot numbers can be found on the outside label of a product:
7-Cyano-7-deazaguanine
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CAS No. 69205-79-4
- Cat. No. CS-W003845
- Purity≥98%
- MDL No.MFCD13178502
*For research and further manufacturing use only, not for direct human use.
Structure of 69205-79-4
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General Information
- CAS No. 69205-79-4
- Cat. No. CS-W003845
- Purity ≥98%
- MDL No. MFCD13178502
- Storage 4°C, protect from light
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₇H₅N₅O
- Molecular Weight 175.15
- Synonym(s) 2-Amino-4-oxo-3H,4H,7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile;2-Amino-4-Oxo-4,7-Dihydro-3H-Pyrrolo[2,3-D]Pyrimidine-5-Carbonitrile
- SMILES N#CC1=CNC(N=C(N)N2)=C1C2=O
Description
2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile is a heterocyclic scaffold featuring an electron-deficient pyrimidine core fused to a pyrrole ring. This structure integrates a pendant amino group and a nitrile function, enabling direct incorporation into medicinal chemistry campaigns. The compound exhibits bench-stable handling and facilitates rapid diversification via nucleophilic addition or coupling reactions.
Application
2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile serves as a versatile heterocyclic building block for medicinal chemistry and materials science applications. Its fused pyrrolopyrimidine core enables robust functionalization at multiple sites, with the amino and nitrile groups offering orthogonal reactivity for downstream modifications. The compound exhibits good bench stability and facilitates efficient incorporation into purine analogs and kinase inhibitor scaffolds.
Synthesis
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Route1
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100643-27-4 -
53106-70-0 - ~74%
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In-stock
69205-79-4
References
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Gangjee; Vidwans; Elzein; McGuire; Queener; Kisliuk Journal of Medicinal Chemistry, 2001 , vol. 44, # 12 p. 1993 - 2003
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Route2
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100643-27-4
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107-31-3
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107-14-2
- ~64%
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In-stock
69205-79-4
References
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Klepper, Florian; Polborn, Kurt; Carell, Thomas Helvetica Chimica Acta, 2005 , vol. 88, # 10 p. 2610 - 2616
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Route3
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53106-70-0
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In-stock
56-06-4 - ~68%
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In-stock
69205-79-4
References
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Ohno, Hiroyuki; Terui, Takashi; Kitawaki, Takafumi; Chida, Noritaka Tetrahedron Letters, 2006 , vol. 47, # 32 p. 5747 - 5750
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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 111.35
- LogP -0.29492
- H_Acceptors 4
- H_Donors 3
- Rotatable_Bonds 0
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Key Words
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