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6960-45-8

6960-45-8 structure
6960-45-8 structure
  • Name: CRT0044876
  • Chemical Name: 7-Nitroindole-2-carboxylic acid
  • CAS Number: 6960-45-8
  • Molecular Formula: C9H6N2O4
  • Molecular Weight: 206.155
  • Catalog: Biochemical Inhibitor DNA damage DNA/RNA Synthesis inhibitor
  • Create Date: 2018-05-02 08:00:00
  • Modify Date: 2025-08-21 08:26:55
  • CRT0044876 is a potent and selective apurinic/apyrimidinic endonuclease 1 (APE1) inhibitor (IC50=~3 μM). CRT0044876 inhibits the AP endonuclease, 3′-phosphodiesterase and 3′-phosphatase activities of APE1, and is a specific inhibitor of the exonuclease III family of enzymes to which APE1 belongs. CRT0044876 potentiates the cytotoxicity of several DNA base-targeting compounds[1].
Name 7-Nitroindole-2-carboxylic acid
Synonyms 1H-Indole-2-carboxylic acid, 7-nitro-
MFCD00044720
7-Nitro-1H-indole-2-carboxylic acid
EINECS 230-154-6
Description CRT0044876 is a potent and selective apurinic/apyrimidinic endonuclease 1 (APE1) inhibitor (IC50=~3 μM). CRT0044876 inhibits the AP endonuclease, 3′-phosphodiesterase and 3′-phosphatase activities of APE1, and is a specific inhibitor of the exonuclease III family of enzymes to which APE1 belongs. CRT0044876 potentiates the cytotoxicity of several DNA base-targeting compounds[1].
Related Catalog
In Vitro A key step in BER is the processing of an apurinic/apyrimidinic (AP) site intermediate by an AP endonuclease. CRT0044876 has an IC50 for inhibition of APE1 of ∼3 μM and not only inhibits AP site cleavage catalyzed by purified APE1, but also cleavage directed by APE1 in a HeLa whole cell extract. CRT0044876 inhibits the 3′-phosphoglycolate diesterase activity of APE1 with an IC50 of ∼5 μM[1]. CRT0044876 inhibits both the exonuclease and AP endonuclease activities of exonuclease III, but shows no inhibitory activity towards endonuclease IV. CRT0044876 has minimal effects on BamHI restriction endonuclease or topoisomerase I even at CRT0044876 concentrations of 100 μM[1]. At non-toxic concentrations, CRT0044876 potentiates the cytotoxicity of several DNA damaging agents, which generate damage that is repaired in the BER pathway, including some currently-used anticancer drugs. The combination of MMS and CRT0044876 leads to a synergistic increase in the level of AP sites. Consistent with CRT0044876 being a specific BER inhibitor, a strong potentiation of hmdUrd cytotoxicity is seen in CRT0044876-treated cells (HT1080 cells)[1].
References

[1]. Madhusudan S, et al. Isolation of a small molecule inhibitor of DNA base excision repair. Nucleic Acids Res. 2005;33(15):4711-4724. Published 2005 Aug 19.
Density 1.6±0.1 g/cm3
Boiling Point 520.8±30.0 °C at 760 mmHg
Melting Point 260-261 °C
Molecular Formula C9H6N2O4
Molecular Weight 206.155
Flash Point 268.8±24.6 °C
Exact Mass 206.032761
PSA 98.91000
LogP 2.80
Vapour Pressure 0.0±1.4 mmHg at 25°C
Index of Refraction 1.761
Storage condition room temp
Symbol GHS08
GHS08
Signal Word Danger
Hazard Statements H319-H334
Precautionary Statements P261-P305 + P351 + P338-P342 + P311
Personal Protective Equipment dust mask type N95 (US);Eyeshields;Faceshields;Gloves
Hazard Codes Xn:Harmful;
Risk Phrases R21/22;R36/37/38
Safety Phrases S36/37/39-S26-S22
RIDADR NONH for all modes of transport
HS Code 2933990090
6960-46-9 structure

6960-46-9

~98%

6960-45-8 structure

6960-45-8

Literature: Purzer Pharmaceutical Co., Ltd. Patent: EP2366687 A2, 2011 ; Location in patent: Page/Page column 8; 10 ;
167027-28-3 structure

167027-28-3

~96%

6960-45-8 structure

6960-45-8

Literature: LG Life Sciences Ltd. Patent: US2010/210647 A1, 2010 ; Location in patent: Page/Page column 24 ;
292853-66-8 structure

292853-66-8

~%

6960-45-8 structure

6960-45-8

Literature: Journal of the American Chemical Society, , vol. 80, p. 4621
HS Code 2933990090
Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
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