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Chemical structure of NKP-1339

GC19263

NKP-1339

Also known as sodium;bis(1H-indazole);tetrachlororuthenium

NKP-1339(IT-139) is a ruthenium(iii) coordination anticancer compound based on target to transferrin

ChemicalCAS197723-00-5MW502.14FormulaC14H12Cl4N4NaRu
CAS number
197723-00-5
Molecular weight
502.14
Formula
C14H12Cl4N4NaRu
Solubility
DMSO ： ≥ 59 mg/mL (117·50 mM)
InChIKey
YGDDGJPSWMFECS-UHFFFAOYSA-J
Catalogue number
GC19263
Brand
GLPBIO
Computed properties PubChem CID 9806062 · TPSA 57.4 Ų · H-bond donors 2 · H-bond acceptors 2
TPSA
57.4 Ų
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
24

SMILES C1=CC=C2C(=C1)C=NN2.C1=CC=C2C(=C1)C=NN2.[Na+].Cl[Ru](Cl)(Cl)Cl

Computed descriptors from PubChem (CID 9806062), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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