6960-45-8

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: 2024-01-02 12:08:24
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	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.

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
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

~98%

6960-45-8

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

167027-28-3

~96%

6960-45-8

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

292853-66-8

6960-45-8

Literature: Journal of the American Chemical Society, , vol. 80, p. 4621

Precursor 3
6960-46-9 167027-28-3 292853-66-8
DownStream 2
6960-42-5 5192-04-1

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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