9-Chloro-2-(2-furanyl)(1,2,4)triazolo(1,5-c)quinazolin-5-amine
Basic information
- CAS
104615-18-1- Standard SMILES
Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12- InChIKey
MSJODEOZODDVGW-UHFFFAOYSA-N- Molecular formula
- C13H8ClN5O
- Average molar mass
- 285.69 g/mol
- Monoisotopic mass
- 285.0417376
Overview
CGS 15943 is a member of the class of triazoloquinazolines that is [1,2,4]triazolo[1,5-c]quinazoline substited at positions 2, 5 and 9 by furan-2-yl, amino and chloro groups respectively. A potent antagonist at adenosine A1 and adenosine A2A receptors. It has a role as a central nervous system stimulant, an antineoplastic agent, an adenosine A2A receptor antagonist and an adenosine A1 receptor antagonist. It is a triazoloquinazoline, a member of furans, an aromatic amine, an organochlorine compound, a primary amino compound and a biaryl.
Names & identifiers
- Preferred name
- 9-Chloro-2-(2-furanyl)(1,2,4)triazolo(1,5-c)quinazolin-5-amine
- IUPAC
- 9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
- English name
- CGS 15943
- Molecular formula
- C13H8ClN5O
- Molecular weight
- 285.69
Names & synonyms
104615-18-1CGS-15943CGS-15943A9-chloro-2-(2-furyl)-(1,2,4)triazolo(1,5-c)quinazolin-5-imineY5A5D5E2AQDTXSID80146617(1,2,4)Triazolo(1,5-c)quinazolin-5-amine, 9-chloro-2-(2-furanyl)-9-chloro-2-(2-furanyl)[1,2,4]triazolo[1,5-c]quinazolin-5-amine[1,2,4]Triazolo[1,5-c]quinazolin-5-amine, 9-chloro-2-(2-furanyl)-9-CHLORO-2-(2-FURANYL)(1,2,4)TRIAZOLO(1,5-C)QUINAZOLIN-5-AMINERefChem:914726DTXCID7069108
Show more names
CGS-15943 solidCGS 15943, 10 mM in DMSOCGS-15943 ADENOSINE A1 RECEPTOR9-CHLORO-2-(2-FURYL)(1,2,4)TRIAZOLO(1,5-C)QUINAZOLIN-5-AMINE9-Chloro-2-(furan-2-yl)[1,2,4]triazolo[1,5-c]quinazolin-5-amine[1,2,4]Triazolo[1,5-c]quinazolin-5-amine,9-chloro-2-(2-furanyl)-
Cgs 159439-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amineCGS 15943ACGS159439-Chloro-2-(2-furanyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amineMFCD01529897CHEMBL166879-chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 82.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 373
Experimental & physicochemical properties
LogP3.98
Physicochemical properties
- Melting point
- 278 · 278-279 °C
- Density
- 1.72 · 1.72±0.1 g/cm3(Predicted)
- storage temp.
- room temp
- solubility
- 16 mg/mL · DMSO: >16 mg/mL
- form
- solid
- pka
- 1.23 · 1.23±0.30(Predicted)
- color
- white
- InChI
- 1S/C13H8ClN5O/c14-7-3-4-9-8(6-7)12-17-11(10-2-1-5-20-10)18-19(12)13(15)16-9/h1-6H,(H2,15,16)
- InChIKey
- MSJODEOZODDVGW-UHFFFAOYSA-N
- SMILES
- Nc1nc2ccc(Cl)cc2c3nc(nn13)-c4ccco4
- FDA UNII
- 5 A5D5E2AQ · Y5A5D5E2AQ
- UNSPSC Code
- 12352202 · 12352202
- NACRES
- 77 · NA.77
- Symbol(GHS)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesPotent adenosine receptor antagonist
Additional notes
DefinitionChEBI: A member of the class of triazoloquinazolines that is [1,2,4]triazolo[1,5-c]quinazoline substited at positions 2, 5 and 9 by furan-2-yl, amino and chloro groups respectively. A potent antagonist at adenosine A1 and adenosi e A2A receptors.
Related reactions
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Compound notes
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