NSC-109555 Ditosylate | CAS#66748-43-4 | Chk2 inhibitor

MedKoo Cat#: 562110 | Name: NSC-109555 Ditosylate

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Description:

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

NSC-109555 Ditosylate is a potent, selective, reversible, ATP-competitive Chk2 inhibitor. It acts by inhibiting histone H1 phosphorylation and attenuating mitochondrial ATP synthesis.

Chemical Structure

NSC-109555 Ditosylate

CAS#66748-43-4

Theoretical Analysis

MedKoo Cat#: 562110

Name: NSC-109555 Ditosylate

CAS#: 66748-43-4

Chemical Formula: C33H40N10O7S2

Exact Mass:

Molecular Weight: 752.87

Elemental Analysis: C, 52.65; H, 5.36; N, 18.60; O, 14.88; S, 8.52

Price and Availability

Size	Price	Availability	Quantity
10mg	USD 300.00
50mg	USD 810.00

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Synonym

NSC-109555 Ditosylate; NSC 109555 Ditosylate; NSC109555 Ditosylate;

IUPAC/Chemical Name

1,3-bis[4-[N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]urea bis-tosylate

InChi Key

DIQGNVANOSOABS-XMDRLFCYSA-N

InChi Code

InChI=1S/C19H24N10O.2C7H8O3S/c1-11(26-28-17(20)21)13-3-7-15(8-4-13)24-19(30)25-16-9-5-14(6-10-16)12(2)27-29-18(22)23;2*1-6-2-4-7(5-3-6)11(8,9)10/h3-10H,1-2H3,(H4,20,21,28)(H4,22,23,29)(H2,24,25,30);2*2-5H,1H3,(H,8,9,10)/b26-11+,27-12+;;

SMILES Code

O=C(NC1=CC=C(/C(C)=N/N=C(N)/N)C=C1)NC2=CC=C(/C(C)=N/N=C(N)/N)C=C2.OS(=O)(C3=CC=C(C)C=C3)=O.OS(=O)(C4=CC=C(C)C=C4)=O

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

>2 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

Instruction

View handling instruction

Biological target:

NSC-109555 Ditosylate is a potent, selective, reversible, ATP-competitive Chk2 inhibitor.

In vitro activity:

In vitro data show the specific inhibition of Chk2 kinase activity by NSC 109555 using in vitro kinase assays and kinase-profiling experiments. NSC 109555 was shown to be a competitive inhibitor of Chk2 with respect to ATP, which was supported by docking of NSC 109555 into the ATP binding pocket of the Chk2 catalytic domain. The potency of NSC 109555 was comparable with that of other known Chk2 inhibitors, such as debromohymenialdisine and 2-arylbenzimidazole. Reference: Mol Pharmacol. 2007 Oct;72(4):876-84. https://pubmed.ncbi.nlm.nih.gov/17616632/

In vivo activity:

TBD

	Solvent	mg/mL	mM
Solubility
	DMSO	7.5	10.00

Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 752.87 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. Zhu L, Zhao L, Wang H, Wang Y, Pan D, Yao J, Li Z, Wu G, Guo Q. Oroxylin A reverses P-glycoprotein-mediated multidrug resistance of MCF7/ADR cells by G2/M arrest. Toxicol Lett. 2013 May 23;219(2):107-15. doi: 10.1016/j.toxlet.2013.01.019. Epub 2013 Mar 5. PMID: 23470866. 2. Jobson AG, Cardellina JH 2nd, Scudiero D, Kondapaka S, Zhang H, Kim H, Shoemaker R, Pommier Y. Identification of a Bis-guanylhydrazone [4,4'-Diacetyldiphenylurea-bis(guanylhydrazone); NSC 109555] as a novel chemotype for inhibition of Chk2 kinase. Mol Pharmacol. 2007 Oct;72(4):876-84. doi: 10.1124/mol.107.035832. Epub 2007 Jul 6. Erratum in: Mol Pharmacol. 2008 Oct;74(4):1170. PMID: 17616632.

In vitro protocol:

In vivo protocol:

TBD

1: Zhu L, Zhao L, Wang H, Wang Y, Pan D, Yao J, Li Z, Wu G, Guo Q. Oroxylin A reverses P-glycoprotein-mediated multidrug resistance of MCF7/ADR cells by G2/M arrest. Toxicol Lett. 2013 May 23;219(2):107-15. doi: 10.1016/j.toxlet.2013.01.019. Epub 2013 Mar 5. PubMed PMID: 23470866.