Lot numbers can be found on the outside label of a product:
Isoxazolo[5,4-c]pyridin-3-amine
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CAS No. 114080-94-3
- Cat. No. CS-W022768
- Purity≥98%
- MDL No.MFCD13193315
*For research and further manufacturing use only, not for direct human use.
![Isoxazolo[5,4-c]pyridin-3-amine|CS-W022768](https://file.chemscene.com/productPIC/CS-W022768.gif)
Structure of 114080-94-3
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General Information
- CAS No. 114080-94-3
- Cat. No. CS-W022768
- Purity ≥98%
- MDL No. MFCD13193315
- Storage 4°C, protect from light
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₆H₅N₃O
- Molecular Weight 135.12
- Synonym(s) Isoxazolo[5,4-c]pyridin-3-amine (9CI)
- SMILES NC1=NOC2=C1C=CN=C2
Description
Isoxazolo[5,4-c]pyridin-3-amine delivers a rigid, electron-rich heterocyclic scaffold ideal for medicinal chemistry. This nitrogen-dense core integrates seamlessly into kinase inhibitors and CNS-targeted compounds, offering enhanced metabolic stability and favorable binding geometry in drug discovery applications.
Application
Isoxazolo[5,4-c]pyridin-3-amine serves as a versatile heterocyclic scaffold in medicinal chemistry, offering a rigid, planar structure with defined hydrogen-bonding capacity. Its pyridine nitrogen and pendant amine enable diverse functionalization, while the isoxazole ring enhances metabolic stability. The compound exhibits bench-stable handling and compatibility with standard coupling reactions, facilitating rapid access to targeted analogs in lead optimization campaigns.
Synthesis
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References
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Tichenor, Mark S.; Keith, John M.; Jones, William M.; Pierce, Joan M.; Merit, Jeff; Hawryluk, Natalie; Seierstad, Mark; Palmer, James A.; Webb, Michael; Karbarz, Mark J.; Wilson, Sandy J.; Wennerholm, Michelle L.; Woestenborghs, Filip; Beerens, Dominiek; Luo, Lin; Brown, Sean M.; Boeck, Marlies De; Chaplan, Sandra R.; Breitenbucher, J. Guy Bioorganic and Medicinal Chemistry Letters, 2012 , vol. 22, # 24 p. 7357 - 7362
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Route2
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In-stock
68325-15-5 - ~39%
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In-stock
114080-94-3
References
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JANSSEN PHARMACEUTICA NV; BREITENBUCHER, J., Guy; KEITH, John, M.; TICHENOR, Mark, S.; CHAMBERS, Alison, L.; JONES, William, M.; HAWRYLUK, Natalie, A.; TIMMONS, Amy, K.; MERIT, Jeffrey, E.; SEIERSTAD, Mark, J. Patent: WO2010/68453 A1, 2010 ; Location in patent: Page/Page column 30 ;
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Route3
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6602-54-6 - ~60%
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In-stock
114080-94-3
References
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Dunn, A. D. Zeitschrift fuer Chemie (Stuttgart, Germany), 1987 , vol. 27, # 9 p. 337 - 338
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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 64.94
- LogP 0.805
- H_Acceptors 4
- H_Donors 1
- Rotatable_Bonds 0
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Key Words
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