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NKP-1339 50mg

CAT: 0628-A21333-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0628-A21333-50Size:50 mg
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CAS Number
197723-00-5

Chemical Information

It-139

Ruthenium-based Transferrin Targeting Agent NKP-1339 is a ruthenium-containing cancer agent targeting transferrin with potential antineoplastic activity. Upon intravenous administration, NKP-1339 (Ru3+) binds to transferrin (Tf) and is taken up via Tf receptors (TfR), which are overexpressed on cancer cells. Once inside the cell, NKP-1339 is released from Tf and is reduced, within the acidic environment of the endosomes, to its active form NKP-119 (Ru2+). In turn, the active form induces a redox reaction, thereby leading to the formation of reactive oxygen species (ROS) which inhibits GRP78 and SOD, endoplasmic reticulum-stress modulating molecules as well as BAG4 and ERK, program cell death regulating molecules. This eventually induces caspase-dependent apoptosis.

CAS Number197723-00-5
PubChem CID25134754
IUPAC Namesodium;bis(1H-indazole);tetrachlororuthenium(1-)
Molecular FormulaC14H12Cl4N4NaRu
Molecular Weight502.1
Topological Polar Surface Area57.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count24
Formal Charge0
Complexity122
SMILES
C1=CC=C2C(=C1)C=NN2.C1=CC=C2C(=C1)C=NN2.[Na+].Cl[Ru-](Cl)(Cl)Cl
InChI
InChI=1S/2C7H6N2.4ClH.Na.Ru/c2*1-2-4-7-6(3-1)5-8-9-7;;;;;;/h2*1-5H,(H,8,9);4*1H;;/q;;;;;;+1;+3/p-4
InChIKey
WVVOCRYXBTVDRN-UHFFFAOYSA-J
Chemical Structure
2D Structure
2D structure of It-139
CAS: 197723-00-5
CID: 25134754
Formula: C14H12Cl4N4NaRu
MW: 502.1
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight502.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass502.872767
Monoisotopic Mass500.875717
Topological Polar Surface Area57.4 Ų
Heavy Atom Count24
Formal Charge0
Complexity122
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count4
Compound Is CanonicalizedYes

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