NKP-1339 | CAS#197723-00-5

NKP-1339
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WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 207118

CAS#: 197723-00-5

Description: NKP-1339, also known as IT-139 and KP-1339, is a ruthenium-based anticancer drug in clinical development against solid cancer with limited side effects. NKP-1339 shows promising results in solid tumors, such as non-small cell lung cancer, colorectal carcinoma, and most distinctively in gastrointestinal neuroendocrine tumors.

Chemical Structure

NKP-1339

CAS# 197723-00-5

Product data Instruction

Theoretical Analysis

MedKoo Cat#: 207118
Name: NKP-1339
CAS#: 197723-00-5
Chemical Formula: C14H12Cl4N4NaRu
Exact Mass: 0.00
Molecular Weight: 502.138
Elemental Analysis: C, 33.49; H, 2.41; Cl, 28.24; N, 11.16; Na, 4.58; Ru, 20.13

Price and Availability

Size	Price	Availability
5mg	USD 310	2 Weeks
10mg	USD 540	2 Weeks
25mg	USD 850	2 Weeks
Bulk inquiry Welcome, Customer: Please do not inquire quote if your intended use is for a patient since our products are for research use and for chemical synthesis use, not for human use . For in-stock products, we listed price in the web page. You may inquire prices for which sizes were not listed. If no price is listed, this means the product is not in stock at the moment, which may be available via custom synthesis. For cost-effective reason, minimum order of 1g is requested (typically very expensive). The lead time is usually 2-4 months. Quote of less than 1g will not be provided. MedKoo may not offer quote for below reasons: (1) current available synthetic method appears to be extremely expensive which is obviously not affordable to most customers; (2) Key raw material to make the product is temporally not available; (3) DEA controlled substances; (4) the product is under patent protection in customer’s country.

Synonym: NKP-1339; NKP 1339; NKP1339; IT-139; IT 139; IT139; KP-1339; KP 1339; KP1339; Na[trans-RuCl4(Ind)2; sodium trans-[RuCl4(HInd)2,

IUPAC/Chemical Name: Sodium hydride; tetrachloro-bis(1H-indazol-2-yl)ruthenium

InChi Key: WVVOCRYXBTVDRN-UHFFFAOYSA-J

InChi Code: WVVOCRYXBTVDRN-UHFFFAOYSA-J

SMILES Code: [Cl-][Ru+3]([N]1=CC2=CC=CC=C2N1)([Cl-])([Cl-])([N]3=CC4=CC=CC=C4N3)[Cl-].[Na+]

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO

Shelf Life: >3 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

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Product Data:

Product Data

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Biological target:	NKP-1339 (IT-139; KP-1339) is the first-in-class ruthenium-based anticancer agent in development against solid cancer with limited side effects. NKP-1339 induces G2/M cell cycle arrest, blockage of DNA synthesis, and induction of apoptosis via the mitochondrial pathway.
In vitro activity:	To understand BOLD-100-mediated signaling mechanism in breast cancer cells, this study used estrogen receptor positive (ER+) MCF7 breast cancer cells to obtain gene-metabolite integrated models. At 100 μM, BOLD-100 significantly reduced cell proliferation and expression of genes involved in the DNA repair pathway. BOLD-100 also induced reactive oxygen species (ROS) and phosphorylation of histone H2AX, gamma-H2AX (Ser139), suggesting disruption of proper DNA surveillance. Reference: Cancers (Basel). 2020 Sep 16;12(9):2647. https://pubmed.ncbi.nlm.nih.gov/32947941/
In vivo activity:	TBD

Solubility Data

	Solvent	Max Conc. mg/mL	Max Conc. mM
Solubility
	DMSO	59.0	117.50

Preparing Stock Solutions

The following data is based on the product molecular weight 502.14 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Concentration / Solvent Volume / Mass	1 mg	5 mg	10 mg
1 mM	1.15 mL	5.76 mL	11.51 mL
5 mM	0.23 mL	1.15 mL	2.3 mL
10 mM	0.12 mL	0.58 mL	1.15 mL
50 mM	0.02 mL	0.12 mL	0.23 mL

Formulation protocol:	1. Bakewell S, Conde I, Fallah Y, McCoy M, Jin L, Shajahan-Haq AN. Inhibition of DNA Repair Pathways and Induction of ROS Are Potential Mechanisms of Action of the Small Molecule Inhibitor BOLD-100 in Breast Cancer. Cancers (Basel). 2020 Sep 16;12(9):2647. doi: 10.3390/cancers12092647. PMID: 32947941; PMCID: PMC7563761. 2. Wernitznig D, Kiakos K, Del Favero G, Harrer N, Machat H, Osswald A, Jakupec MA, Wernitznig A, Sommergruber W, Keppler BK. First-in-class ruthenium anticancer drug (KP1339/IT-139) induces an immunogenic cell death signature in colorectal spheroids in vitro. Metallomics. 2019 Jun 19;11(6):1044-1048. doi: 10.1039/c9mt00051h. PMID: 30942231.
In vitro protocol:	1. Bakewell S, Conde I, Fallah Y, McCoy M, Jin L, Shajahan-Haq AN. Inhibition of DNA Repair Pathways and Induction of ROS Are Potential Mechanisms of Action of the Small Molecule Inhibitor BOLD-100 in Breast Cancer. Cancers (Basel). 2020 Sep 16;12(9):2647. doi: 10.3390/cancers12092647. PMID: 32947941; PMCID: PMC7563761. 2. Wernitznig D, Kiakos K, Del Favero G, Harrer N, Machat H, Osswald A, Jakupec MA, Wernitznig A, Sommergruber W, Keppler BK. First-in-class ruthenium anticancer drug (KP1339/IT-139) induces an immunogenic cell death signature in colorectal spheroids in vitro. Metallomics. 2019 Jun 19;11(6):1044-1048. doi: 10.1039/c9mt00051h. PMID: 30942231.
In vivo protocol:	TBD

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1: Alessio E, Messori L. NAMI-A and KP1019/1339, Two Iconic Ruthenium Anticancer Drug Candidates Face-to-Face: A Case Story in Medicinal Inorganic Chemistry. Molecules. 2019 May 24;24(10):1995. doi: 10.3390/molecules24101995. PMID: 31137659; PMCID: PMC6571951.

2: Schoenhacker-Alte B, Mohr T, Pirker C, Kryeziu K, Kuhn PS, Buck A, Hofmann T, Gerner C, Hermann G, Koellensperger G, Keppler BK, Berger W, Heffeter P. Sensitivity towards the GRP78 inhibitor KP1339/IT-139 is characterized by apoptosis induction via caspase 8 upon disruption of ER homeostasis. Cancer Lett. 2017 Sep 28;404:79-88. doi: 10.1016/j.canlet.2017.07.009. Epub 2017 Jul 14. PMID: 28716523.

3: Bytzek AK, Koellensperger G, Keppler BK, G Hartinger C. Biodistribution of the novel anticancer drug sodium trans-[tetrachloridobis(1H-indazole)ruthenate(III)] KP-1339/IT139 in nude BALB/c mice and implications on its mode of action. J Inorg Biochem. 2016 Jul;160:250-5. doi: 10.1016/j.jinorgbio.2016.02.037. Epub 2016 Mar 3. PMID: 26993078.

4: Schreiber-Brynzak E, Klapproth E, Unger C, Lichtscheidl-Schultz I, Göschl S, Schweighofer S, Trondl R, Dolznig H, Jakupec MA, Keppler BK. Three-dimensional and co-culture models for preclinical evaluation of metal-based anticancer drugs. Invest New Drugs. 2015 Aug;33(4):835-47. doi: 10.1007/s10637-015-0260-4. Epub 2015 Jun 21. PMID: 26091914.

5: Egger AE, Theiner S, Kornauth C, Heffeter P, Berger W, Keppler BK, Hartinger CG. Quantitative bioimaging by LA-ICP-MS: a methodological study on the distribution of Pt and Ru in viscera originating from cisplatin- and KP1339-treated mice. Metallomics. 2014 Sep;6(9):1616-25. doi: 10.1039/c4mt00072b. PMID: 24823867.

6: Heffeter P, Atil B, Kryeziu K, Groza D, Koellensperger G, Körner W, Jungwirth U, Mohr T, Keppler BK, Berger W. The ruthenium compound KP1339 potentiates the anticancer activity of sorafenib in vitro and in vivo. Eur J Cancer. 2013 Oct;49(15):3366-75. doi: 10.1016/j.ejca.2013.05.018. Epub 2013 Jun 18. PMID: 23790465; PMCID: PMC3807657.

7: Dömötör O, Hartinger CG, Bytzek AK, Kiss T, Keppler BK, Enyedy EA. Characterization of the binding sites of the anticancer ruthenium(III) complexes KP1019 and KP1339 on human serum albumin via competition studies. J Biol Inorg Chem. 2013 Jan;18(1):9-17. doi: 10.1007/s00775-012-0944-6. Epub 2012 Oct 18. PMID: 23076343.

8: Bytzek AK, Boeck K, Hermann G, Hann S, Keppler BK, Hartinger CG, Koellensperger G. LC- and CZE-ICP-MS approaches for the in vivo analysis of the anticancer drug candidate sodium trans-[tetrachloridobis(1H-indazole)ruthenate(III)] (KP1339) in mouse plasma. Metallomics. 2011 Oct;3(10):1049-55. doi: 10.1039/c1mt00055a. Epub 2011 Sep 21. PMID: 21935553.

9: Hudej R, Turel I, Kanduser M, Scancar J, Kranjc S, Sersa G, Miklavcic D, Jakupec MA, Keppler BK, Cemazar M. The influence of electroporation on cytotoxicity of anticancer ruthenium(III) complex KP1339 in vitro and in vivo. Anticancer Res. 2010 Jun;30(6):2055-63. PMID: 20651351.

10: Heffeter P, Böck K, Atil B, Reza Hoda MA, Körner W, Bartel C, Jungwirth U, Keppler BK, Micksche M, Berger W, Koellensperger G. Intracellular protein binding patterns of the anticancer ruthenium drugs KP1019 and KP1339. J Biol Inorg Chem. 2010 Jun;15(5):737-48. doi: 10.1007/s00775-010-0642-1. Epub 2010 Mar 11. PMID: 20221888; PMCID: PMC3371400.

11: Morbidelli L, Donnini S, Filippi S, Messori L, Piccioli F, Orioli P, Sava G, Ziche M. Antiangiogenic properties of selected ruthenium(III) complexes that are nitric oxide scavengers. Br J Cancer. 2003 May 6;88(9):1484-91. doi: 10.1038/sj.bjc.6600906. PMID: 12778081; PMCID: PMC2741040.

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