7-Nitroindole-2-carboxylic acid

Name	7-Nitroindole-2-carboxylic acid
Synonyms	7-NO2-ICA TIMTEC-BB SBB003487 2-Carboxy-7-nitro-1H-indole 7-Nitroindole-2-carboxylic acid 7-NITROINDOLE-2-CARBOXYLIC ACID 7-nitro-1h-indole-2-carboxylicaci 7-NITRO-1H-INDOLE-2-CARBOXYLIC ACID
CAS	6960-45-8
EINECS	230-154-6

Molecular Formula	C9H6N2O4
Molar Mass	206.15
Density	1.4588 (rough estimate)
Melting Point	260-261 °C
Boling Point	344.99°C (rough estimate)
Water Solubility	Insoluble
Solubility	DMSO: >20mg/mL
Appearance	Tan solid
pKa	4.03±0.30(Predicted)
Storage Condition	Keep in dark place,Sealed in dry,2-8°C
Refractive Index	1.5570 (estimate)
MDL	MFCD00044720
In vitro study	CRT0044876 significantly inhibits APE1 depurinopyrimidine endonuclease, 3-terminal phosphodiesterase and 3 '-terminal phosphoesterase activity, with selectivity for inhibition of exonuclease Family III. CRT0044876 enhances the toxicity of several compounds targeting DNA bases, resulting in accumulation of unpaired AP sites. CRT0044876 increases oxidative DNA damage by inhibiting the BER signaling pathway, thereby increasing extracellular reactive oxygen species in the acidic tumor microenvironment, leading to cell cycle inhibition and increased DNA double-strand breaks, ultimately leading to cell death.

Risk Codes	R36/37/38 - Irritating to eyes, respiratory system and skin. R21/22 - Harmful in contact with skin and if swallowed. R43 - May cause sensitization by skin contact R36 - Irritating to the eyes
Safety Description	S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S22 - Do not breathe dust. S36/37 - Wear suitable protective clothing and gloves.
WGK Germany	3
TSCA	Yes
Hazard Class	IRRITANT