1-Piperazinecarboselenoic acid, [1-(2-pyridinyl)ethylidene]hydrazide
Basic information
- CAS
79514-41-3- Standard SMILES
C/C(=N\N=C(\[Se])N1CCN(c2ccccn2)CC1)c1ccccn1- InChIKey
XHOWLJGNFHYYAE-PQBPFAQHSA-N- Molecular formula
- C17H19N6Se
- Average molar mass
- 386.3 g/mol
- Monoisotopic mass
- 387.08364
Names & identifiers
- Preferred name
- 1-Piperazinecarboselenoic acid, [1-(2-pyridinyl)ethylidene]hydrazide
- English name
- 1-Piperazinecarboselenoic acid, 4-(2-pyridinyl)-, 2-[1-(2-pyridinyl)ethylidene]hydrazide
- Molecular formula
- C17H20N6Se
- Molecular weight
- 387.34
Names & synonyms
NSC328784NSC-3287841-Piperazinecarboselenoic acid, [1-(2-pyridinyl)ethylidene]hydrazideZMC31-Piperazinecarboselenoic acid, 4-(2-pyridinyl)-, 2-[1-(2-pyridinyl)ethylidene]hydrazide
Database identifiers
- CAS
79514-41-3- PubChem CID
- 54598628
Properties
Computed structural properties
- Topological polar surface area
- 57 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 458
Physicochemical properties
- Melting point
- 182 · 182-184 °C (decomp)
- Boiling point
- 544.9 · 544.9±60.0 °C(Predicted)
- pka
- 8.43 · 8.43±0.19(Predicted)
Chemistry & industry
Applications
UsesZMC3 (NSC328784) is a zinc chelator. ZMC3 shows Zinc metallochaperone properties. ZMC3 shows enhanced sensitivity in p53-R175H mutant cells. ZMC3 increases the cell ROS level[1].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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