Triapine
[(E)-(3-amino-2-pyridinyl)methylideneamino]thiourea
Molecular Identity
Triapine
[(E)-(3-amino-2-pyridinyl)methylideneamino]thiourea
PubChem CID: 9571836
Triapine is a thiosemicarbazone resulting from the formal condensation of the formyl group of 3-aminopicolinaldehyde with the non-thioacylated amino group of hydrazinecarbothioamide. It is a ribonucleotide reductase inhibitor that exhibits anti-cancer properties. It has a role as a radiosensitizing agent, an antineoplastic agent, an iron chelator, a neuroprotective agent, an apoptosis inducer and an EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor. It is a thiosemicarbazone and an aminopyridine. It is functionally related to a 3-aminopicolinaldehyde.
2D Structure
Properties
C7H9N5S
Molecular Formula
195.25
Molecular Weight
g/mol
195.0579
Exact Mass
Da
-0.2
XLogP
Drug-like (Lipinski: < 5)
121
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
4
H-Bond Acceptors
205
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Triapine143621-35-63-Apct3-Aminopyridine-2-carboxaldehyde thiosemicarbazoneOCX 191PAN811NSC 663249PAN-811NSC-663249U4XIL4091CDTXSID90893923OCX-191OCX-0191Hydrazinecarbothioamide, 2-((3-amino-2-pyridinyl)methylene)-NSC663249
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Triapine
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