CAS 66907-52-6

3,4,5-Trimethoxy-2-nitrobenzoic acid

Description:

3,4,5-Trimethoxy-2-nitrobenzoic acid is an organic compound characterized by its aromatic structure, which includes a benzoic acid moiety substituted with three methoxy groups and one nitro group. The presence of the methoxy groups enhances its solubility in organic solvents and may influence its reactivity and biological activity. The nitro group, being an electron-withdrawing substituent, can affect the acidity of the carboxylic acid functional group, potentially increasing its acidity compared to unsubstituted benzoic acids. This compound is typically used in organic synthesis and may serve as an intermediate in the production of pharmaceuticals or agrochemicals. Its molecular structure contributes to its unique chemical properties, including its potential for hydrogen bonding and interactions with biological targets. Additionally, the compound's stability and reactivity can be influenced by environmental factors such as pH and temperature. As with many nitro-substituted compounds, it may exhibit specific biological activities, making it of interest in medicinal chemistry and research applications.

Formula: C₁₀H₁₁NO₇

InChI: InChI=1S/C10H11NO7/c1-16-6-4-5(10(12)13)7(11(14)15)9(18-3)8(6)17-2/h4H,1-3H3,(H,12,13)

InChI key: InChIKey=VPVAFLFJAAPHKI-UHFFFAOYSA-N

SMILES: O(C)C1=C(N(=O)=O)C(C(O)=O)=CC(OC)=C1OC

Synonyms:

• 2-Nitro-3,4,5-trimethoxybenzoic acid
• 3,4,5-Trimethoxy-2-Nitrobenzoate
• Benzoic acid, 3,4,5-trimethoxy-2-nitro-
• NSC 100936
• 3,4,5-Trimethoxy-2-nitrobenzoic acid

3,4,5-Trimethoxy-2-nitrobenzoic acid

CAS: 66907-52-6

Formula: C₁₀H₁₁NO₇

Color and Shape: Solid

Molecular weight: 257.1968

Ref: IN-DA00FAPK

2-Nitro-3,4,5-trimethoxybenzoic acid

CAS: 66907-52-6

2-Nitro-3,4,5-trimethoxybenzoic acid (2-NTMB) is a potent anticancer agent that has shown cytotoxic effects in human epidermoid carcinoma cells. It inhibits the growth of cancer cells by interfering with their DNA synthesis and repair. 2-NTMB binds to DNA and blocks the action of enzymes involved in DNA synthesis and repair. This binding leads to cancer cell death through irradiation or by blocking the production of new proteins vital for cell division. 2-NTMB is bioisosteric with combretastatin A4, which means it can be substituted for this drug without significant loss of potency. It also has been shown to be an effective chemotherapeutic agent against breast cancer in mice.

Formula: C₁₀H₁₁NO₇

Purity: Min. 95%

Color and Shape: Powder

Molecular weight: 257.2 g/mol

Ref: 3D-FN70167