CRT0044876

Alias: CRT-0044876; NSC 69877; 7-NO2-ICA; CRT0044876; NSC-69877; CRT 0044876; NSC69877
Cat No.:V1440 Purity: ≥98%
CRT0044876 (CRT-0044876;NSC 69877, 7-NO2-ICA; NSC-69877;CRT 0044876;NSC69877), an indole analog, is a potent and selective APE1 inhibitor with potential antitumor activity.
CRT0044876 Chemical Structure CAS No.: 6960-45-8
Product category: DNA(RNA) Synthesis
This product is for research use only, not for human use. We do not sell to patients.
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Purity & Quality Control Documentation

Purity: ≥98%

Product Description

CRT0044876 (CRT-0044876; NSC 69877, 7-NO2-ICA; NSC-69877; CRT 0044876; NSC69877), an indole analog, is a potent and selective APE1 inhibitor with potential antitumor activity. With an IC50 of about 3 μM, it inhibits APE1.

Biological Activity I Assay Protocols (From Reference)
Targets
APE1 ( IC50 ~ 3 μM )
ln Vitro

CRT0044876 shows selectivity for the inhibition of exonuclease III family and potently inhibits the 3'-phosphodiesterase, 3'-phosphatase, and AP endonuclease activities of APE1. Several DNA base-targeting compounds with an accumulation of unrepaired AP sites exhibit enhanced cytotoxicity when combined with CRT0044876. [1] Through the inhibition of the BER pathway, CRT0044876, in an acidic tumor microenvironment, increases intracellular reactive oxygen species and oxidative DNA damage, which in turn causes cell cycle arrests and an increase in DNA double strand breaks, ultimately resulting in cell death. [2]

ln Vivo

Enzyme Assay
The components of the BER reaction buffer are 0.5 mM DTT, 0.1 mM EDTA, 5 mM MgCl2, and 40 mM HEPES–KOH (pH 7.8). 0.75 ng of reduced AP site double-stranded oligonucleotide, purified protein (3.3 nM final concentration of APE1), and BER buffer mix were added to a 10 μl AP site cleavage reaction. The mixture is incubated for one hour at 37°C. After adding 1 μl of stop buffer (consisting of 50% glycerol, 10 mM Tris–HCl, 1 mM EDTA, 0.1% bromophenol blue, and 0.1% Xylene cyanol), the sample mixture is denatured for two minutes at 90–100°C. The sample is then electrophoresed at a constant current of 30 mA for 30 minutes on a 15% TBE CriterionTM Pre-Cast Gel. The radiolabeled substrate and reaction products are then visualized using a phosphorImager. From 0.1 to 100 μM drug concentrations, the inhibitory activity of putative APE1-targeting compounds is scrutinized. IC50 values are computed by finding the concentration of the inhibitor that decreased APE1 activity to 50% of the control values. The quantification of the resolved radiolabeled bands is done using ImageQuant software investigation.
Cell Assay
The culture medium used for HT1080 fibrosarcoma cells is 2% RPMI supplemented with 0.06 g/l penicillin, 0.1 g/l streptomycin (pH 7.0), 10% fetal bovine serum, and 4 mM glutamine. For clonogenic survival analysis, only cells with a plating efficiency of ≥60% are employed. 500 cells are seeded into 10-cm tissue culture dishes, and the cultures are kept in an environment of 95% air and 5% CO2 at 37°C in a humidified incubator. In order to assess the toxicity profile of potential APE1 inhibitors, the medium is supplemented with inhibitor at different concentrations (100–500 μM), and cultures are incubated for 7–10 days until cell colonies form. After fixing (75 percent methanol and 25 percent acetic acid) for 30 minutes, the colonies are stained for four hours at room temperature using crystal violet (1 mg/ml in distilled water). A colony counter is used to count colonies that are visible.
Animal Protocol


References

[1]. Nucleic Acids Res . 2005 Aug 19;33(15):4711-24.

[2]. Cancer Res . 2009 Sep 15;69(18):7285-93.

These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C9H6N2O4
Molecular Weight
206.15
Exact Mass
206.16
Elemental Analysis
C, 52.44; H, 2.93; N, 13.59; O, 31.04
CAS #
6960-45-8
Appearance
Solid powder
SMILES
C1=CC2=C(C(=C1)[N+](=O)[O-])NC(=C2)C(=O)O
InChi Key
BIUCOFQROHIAEO-UHFFFAOYSA-N
InChi Code
InChI=1S/C9H6N2O4/c12-9(13)6-4-5-2-1-3-7(11(14)15)8(5)10-6/h1-4,10H,(H,12,13)
Chemical Name
7-nitro-1H-indole-2-carboxylic acid
Synonyms
CRT-0044876; NSC 69877; 7-NO2-ICA; CRT0044876; NSC-69877; CRT 0044876; NSC69877
HS Tariff Code
2934.99.9001
Storage

Powder      -20°C    3 years

                     4°C     2 years

In solvent   -80°C    6 months

                  -20°C    1 month

Shipping Condition
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
Solubility Data
Solubility (In Vitro)
DMSO : 41~50 mg/mL (198.9~242.5 mM)
Ethanol : ~1 mg/mL (~4.9 mM)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 4.8508 mL 24.2542 mL 48.5084 mL
5 mM 0.9702 mL 4.8508 mL 9.7017 mL
10 mM 0.4851 mL 2.4254 mL 4.8508 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.

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Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
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Calculation results

Working concentration mg/mL;

Method for preparing DMSO stock solution mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.

Method for preparing in vivo formulation:Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O,mix and clarify.

(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
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Biological Data
  • Identification of CRT0044876 as an APE1 inhibitor. Nucleic Acids Res . 2005 Aug 19;33(15):4711-24.
  • CRT0044876 is an inhibitor of the exonuclease III family of AP endonucleases. Nucleic Acids Res . 2005 Aug 19;33(15):4711-24.
  • CRT0044876 inhibits the 3′-phosphodiesterase activity of APE1. Nucleic Acids Res . 2005 Aug 19;33(15):4711-24.
  • Clonogenic survival following treatment with the APE1 inhibitor CRT0044876 in HCT116 cells at pHe7.4 versus 6.2. Cancer Res . 2009 Sep 15;69(18):7285-93.
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