1H-Imidazo(4,5-d)pyridazin-2-amine
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Basic information
- CAS
160568-14-9- Standard SMILES
Nc1nc2cnncc2[nH]1- InChIKey
BUYBPEINWQQOFV-UHFFFAOYSA-N- Molecular formula
- C5H5N5
- Average molar mass
- 135.13 g/mol
- Monoisotopic mass
- 135.05449518
Overview
Zarzissine is a organonitrogen heterocyclic compound that is 1H-imidazo[4,5-d]pyridazine substituted by an amino group at position 2. A guanidine alkaloid isolated from Anchinoe paupertas, it exhibits cytotoxic activity against human and murine tumor cell lines. It has a role as a metabolite and an antineoplastic agent. It is an alkaloid, a member of guanidines and an organonitrogen heterocyclic compound.
Names & identifiers
- Preferred name
- 1H-Imidazo(4,5-d)pyridazin-2-amine
- IUPAC
- 1H-imidazo[4,5-d]pyridazin-2-amine
- English name
- zarzissine
- Molecular formula
- C5H5N5
- Molecular weight
- 135.13
Names & synonyms
Zarzissine1H-imidazo[4,5-d]pyridazin-2-amine160568-14-9CHEBI:66501DTXSID601669391H-Imidazo(4,5-d)pyridazin-2-amineRefChem:195871DTXCID0089430orb1680692SCHEMBL31738425KGA56814MFCD13152196
Show more names
Zarzissine/1H-Imidazo[45-d]pyridazin-2-amine
TN6048AKOS006351009CCG-262017Q27135105
Database identifiers
- CAS
160568-14-9- PubChem CID
- 6400641
- DTXSID
DTXSID60166939- ChEMBL
CHEMBL450395- ChEBI
CHEBI:66501- Nikkaji
- J623.377E
Properties
Computed structural propertiesFilling in
- XLogP
- -0.9
- Topological polar surface area
- 80.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 127
Physicochemical properties
- Boiling point
- 565.7 · 565.7±42.0 °C(Predicted)
- Density
- 1.612 · 1.612±0.06 g/cm3(Predicted)
- pka
- 12.57 · 12.57±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesZarzissine is a cytotoxic guanidine alkaloid that can be isolated from the Mediterranean sponge Anchinoe paupertas. Zarzissine shows antimicrobial and anticancer activities[1].
Additional notes
DefinitionChEBI: A organonitrogen heterocyclic compound that is 1H-imidazo[4,5-d]pyridazine substituted by an amino group at position 2. A guanidine alkaloid isolated from Anchinoe paupertas, it exhibits cytotoxic activity again t human and murine tumor cell lines.
Related reactions
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Compound notes
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