Chemical Property of [(Z)-(3-Aminopyridin-2-yl)methylideneamino]thiourea
Chemical Property:
- Vapor Pressure:0mmHg at 25°C
- Melting Point:234 °C
- Refractive Index:1.72
- Boiling Point:435.961 °C at 760 mmHg
- PKA:10.93±0.70(Predicted)
- Flash Point:217.462 °C
- PSA：125.95000
- Density:1.467 g/cm3
- LogP:1.52370
- Storage Temp.:2-8°C
- Solubility.:DMSO: soluble10Meq/mL, clear
- XLogP3:-0.2
- Hydrogen Bond Donor Count:3
- Hydrogen Bond Acceptor Count:4
- Rotatable Bond Count:2
- Exact Mass:195.05786648
- Heavy Atom Count:13
- Complexity:205
- Purity/Quality:
-
99%, *data from raw suppliers
3-AP *data from reagent suppliers
Safty Information:
- Pictogram(s):
Xn
- Hazard Codes:Xn
- Statements:
22-36/37/38
- Safety Statements:
26
- MSDS Files:
-
SDS file from LookChem
Useful:
- Canonical SMILES:C1=CC(=C(N=C1)C=NNC(=S)N)N
- Isomeric SMILES:C1=CC(=C(N=C1)/C=N\NC(=S)N)N
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Uses
Ribonucleotide reductase, the rate-limiting enzyme for de novo DNA synthesis, is an excellent target for chemotherapy. Its increased activity in cancer cells is associated with malignant transformation and proliferation. 3-AP is a ribonucleotide reductase inhibitor and iron chelator with antitumor activity. At 5 μM it can enhance DU145, U251, and PSN1 tumor cell radiosensitivity in vitro, inhibiting DNA synthesis and repair. It destroys the tyrosine free radical in the R2/p53R2 subunits of ribonucleotide reductase by forming a redox active complex with iron, thus producing reactive oxygen species. Furthermore, 3-AP has been shown to activate an endoplasmic reticulum stress pathway, leading to the unfolded protein response and apoptosis.[Cayman Chemical]
