Lot numbers can be found on the outside label of a product:
Isoquinolin-4-amine
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CAS No. 23687-25-4
- Cat. No. CS-W008059
- Purity≥98%
- MDL No.MFCD00034752
*For research and further manufacturing use only, not for direct human use.
Structure of 23687-25-4
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General Information
- CAS No. 23687-25-4
- Cat. No. CS-W008059
- Purity ≥98%
- MDL No. MFCD00034752
- Storage 4°C, protect from light
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₉H₈N₂
- Molecular Weight 144.17
- Synonym(s) 4-Aminoisoquinoline
- SMILES NC1=CN=CC2=C1C=CC=C2
Description
Isoquinolin-4-amine serves as a key heterocyclic scaffold in medicinal chemistry, featuring a nitrogen-rich core that enables strong hydrogen bonding and metal coordination. This compound integrates readily into bioactive molecules, particularly in kinase inhibitors and antiviral agents, where its planar structure enhances target binding affinity. The amine group offers direct functionalization potential for conjugation or salt formation, improving solubility and pharmacokinetic properties.
Application
Isoquinolin-4-amine serves as a versatile heterocyclic building block in medicinal chemistry, enabling efficient access to bioactive scaffolds through direct functionalization at the 4-position. Its amine functionality facilitates coupling reactions, reductive amination, and transition-metal-catalyzed transformations, while maintaining bench stability and compatibility with common protecting group strategies. This compound functions effectively in the synthesis of kinase inhibitors, antiviral agents, and other pharmaceutical candidates requiring rigid, nitrogen-rich frameworks.
Synthesis
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Route1
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In-stock
1532-97-4 - ~97%
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In-stock
23687-25-4
References
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Bernabeu, M. Carmen; Diaz, Jose Luis; Jimenez, Oscar; Lavilla, Rodolfo Synthetic Communications, 2004 , vol. 34, # 1 p. 137 - 149
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Route2
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1421429-90-4 - ~97%
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In-stock
23687-25-4
References
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Gruenenthal GmbH; FRANK, Robert; CHRISTOPH, Thomas; LESCH, Bernhard; LEE, Jeewoo Patent: US2013/29995 A1, 2013 ; Location in patent: Paragraph 0403-0404 ; US 20130029995 A1
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Route3
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36073-93-5 - ~98%
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In-stock
23687-25-4
References
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Bakke; Riha Journal of Heterocyclic Chemistry, 2001 , vol. 38, # 1 p. 99 - 104
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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-H319
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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 38.91
- LogP 1.817
- H_Acceptors 2
- H_Donors 1
- Rotatable_Bonds 0
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