NSC-109555 Ditosylate
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MedKoo CAT#: 562110

CAS#: 66748-43-4

Description: 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

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NSC-109555 Ditosylate
CAS# 66748-43-4
Product data Instruction

Theoretical Analysis

MedKoo Cat#: 562110
Name: NSC-109555 Ditosylate
CAS#: 66748-43-4
Chemical Formula: C33H40N10O7S2
Exact Mass: 0.00
Molecular Weight: 752.866
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
50mg USD 810
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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

More Info:

Product Data:
Product Data
Instruction:
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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

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMSO 7.5 10.00

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.

Recalculate based on batch purity %
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: 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 vivo protocol: TBD

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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.