Lot numbers can be found on the outside label of a product:
Ribociclib impurity 5
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CAS No. 775288-71-6
- Cat. No. CS-B0330
- Purity≥96%
- MDL No.MFCD09041112
*For research and further manufacturing use only, not for direct human use.
Structure of 775288-71-6
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General Information
- CAS No. 775288-71-6
- Cat. No. CS-B0330
- Purity ≥96%
- MDL No. MFCD09041112
- Storage RT, protect from light
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₉H₁₂N₄O₂
- Molecular Weight 208.22
- Synonym(s) OTAVA-BB 1314167
- SMILES O=[N+]([O-])C1=NC=C(N2CCNCC2)C=C1
Description
1-(6-Nitropyridin-3-yl)piperazine features a pyridine ring bearing a nitro group at the 6-position, paired with a piperazine moiety that imparts solubility and synthetic versatility. This electron-deficient heterocycle integrates readily into medicinal chemistry scaffolds, enabling efficient coupling in transition-metal-catalyzed reactions. The molecule exhibits bench-stable handling characteristics under standard conditions.
Application
1-(6-Nitropyridin-3-yl)piperazine serves as a versatile building block in medicinal chemistry, enabling efficient construction of heterocyclic scaffolds through nucleophilic substitution and transition-metal-catalyzed coupling reactions. Its pyridine-nitro functionality offers high reactivity for downstream transformations, while the piperazine moiety provides favorable solubility and metabolic stability. Bench-stable and compatible with standard purification methods, it facilitates rapid exploration of pharmacophores in drug discovery programs.
Synthesis
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Route1
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In-stock
571189-16-7 - ~74%
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In-stock
775288-71-6
References
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GE HEALTHCARE LIMITED; MEDI-PHYSICS, INC.; JONES, Clare; GLASER, Matthias Eberhard; WYNN, Duncan; NAIRNE, James; MOKKAPATI, Umamaheshwar P.; NEWINGTON, Ian, Martin; RANGASWAMY, Chitralekha; JOSE, Jinto; JOHANSSON, Saga Patent: WO2013/90497 A1, 2013 ; Location in patent: Page/Page column 51 ;
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Route2
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110-85-0 -
In-stock
39856-50-3 - ~46%
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In-stock
775288-71-6
References
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Swanson, Devin M.; Dubin, Adrienne E.; Shah, Chandra; Nasser, Nadia; Chang, Leon; Dax, Scott L.; Jetter, Michele; Breitenbucher, J. Guy; Liu, Changlu; Mazur, Curt; Lord, Brian; Gonzales, Lisa; Hoey, Kenway; Rizzolio, Michele; Bogenstaetter, Michael; Codd, Ellen E.; Lee, Doo H.; Zhang, Sui-Po; Chaplan, Sandra R.; Carruthers, Nicholas I. Journal of Medicinal Chemistry, 2005 , vol. 48, # 6 p. 1857 - 1872
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Route3
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In-stock
39856-50-3
- ~%
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In-stock
775288-71-6
References
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GE HEALTHCARE LIMITED; MEDI-PHYSICS, INC.; JONES, Clare; GLASER, Matthias Eberhard; WYNN, Duncan; NAIRNE, James; MOKKAPATI, Umamaheshwar P.; NEWINGTON, Ian, Martin; RANGASWAMY, Chitralekha; JOSE, Jinto; JOHANSSON, Saga Patent: WO2013/90497 A1, 2013 ;
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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 71.3
- LogP 0.3994
- H_Acceptors 5
- H_Donors 1
- Rotatable_Bonds 2
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Key Words
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