CAS Number6960-45-8
SynonymsMFCD00044720; 7-Nitro-1H-indole-2-carboxylic acid; EINECS 230-154-6
Molecular FormulaC9H6N2O4
Molecular Weight206.15
Purity≥98 (HPLC)%
Density1.6±0.1 g/cm3
Boiling Point520.8±30.0 °C at 760 mmHg
Melting Point260-261 °C
Appearancesolid
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 6960-45-8 |
| Catalog No. | 2A-9033294 |
| Chinese Name | 7-硝基吲哚-2-甲酸 |
| Synonyms | MFCD00044720; 7-Nitro-1H-indole-2-carboxylic acid; EINECS 230-154-6 |
| Molecular Formula | C9H6N2O4 |
| Molecular Weight | 206.15 |
| Purity | ≥98 (HPLC) |
| Density | 1.6±0.1 g/cm3 |
| Boiling Point | 520.8±30.0 °C at 760 mmHg |
| Melting Point | 260-261 °C |
| Appearance | solid |
| Water Solubility | Insoluble |
| Storage Condition | room temp |
| Application | CRT0044876 is a highly potent and selective inhibitor of purine/pyrimidine nucleoside endonuclease 1 (APE1) with an IC50 of approximately 3 μM. CRT0044876 can inhibit the AP endonuclease, 3′-phosphodi |
| HTC | 2933990090 |
| MDL Number | MFCD00044720 |
| SMILES | [N+](=O)([O-])c1c2[nH]c(cc2ccc1)C(=O)[O-] |
| 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)/p-1 |
| InChI Key | BIUCOFQROHIAEO-UHFFFAOYSA-M |
| NACRES Code | NA.54 |
| UNSPSC | 12352200 |
| Hazard Symbols | transportation |
| MSDS | msds/33294_1_6960_45_8.pdf |
| Bioactivity | 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 Research Areas >> Cancer Signaling Pathways >> Cell Cycle/DNA Damage >> DNA/RNA Synthesis 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. Chemical & Physical Properties 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 InChIKey BIUCOFQROHIAEO-UHFFFAOYSA-N SMILES O=C(O)c1cc2cccc([N+](=O)[O-])c2[nH]1 Storage condition room temp |
| Use of | 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]. Properties Name 7-Nitroindole-2-carboxylic acid Synonym More Synonyms CRT0044876 Biological Activity 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 Research Areas >> Cancer Signaling Pathways >> Cell Cycle/DNA Damage >> DNA/RNA Synthesis 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. Chemical & Physical Properties Molecular Formula C9H6N2O4 Exact Mass 206.032761 PSA 98.91000 Index of Refraction 1.761 InChIKey BIUCOFQROHIAEO-UHFFFAOYSA-N Storage condition room temp |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: Purity: 97.0% |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 Names specified by the United Nations (UN) European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Dangerous Regulations: No International Maritime Transport Dangerous Regulations Maritime Pollutants: No International Air Transport Risk Regulations: No 14.6 Special reminder to users No data available |
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