2-Methylbenzothiazole-7-Carboxylic Acid

2-Methylbenzothiazole-7-Carboxylic Acid serves as a complementary building block for structure–activity relationship (SAR) studies. When a 6‑substituted benzothiazole lead compound fails to show optimal activity, 2-Methylbenzothiazole-7-Carboxylic Acid can be used to rapidly access the 7‑substituted analog, exploring alternative binding geometries. More specifically, 2-Methylbenzothiazole-7-Carboxylic Acid is a key intermediate in the synthesis of pyrazole‑based inhibitors of coactivator‑associated arginine methyltransferase 1 (CARM1), an epigenetic target implicated in breast, prostate, and colorectal cancers. Beyond oncology, 2-Methylbenzothiazole-7-Carboxylic Acid is also used in the preparation of fluorescent dyes, metal‑coordinating ligands for catalysis, and agrochemical intermediates.

Cosperpharm supplies this product as a high‑purity crystalline solid (≥95% by HPLC; ≥98% available on request), fully characterized by ¹H NMR, LC‑MS, and HPLC. It is stable when stored at 2–8 °C under dry, moisture‑protected conditions. Whether you need a few milligrams for a screening library or kilogram quantities for process development, Cosperpharm is your reliable source for this regioisomer and its 6‑carboxy counterpart.

Product Parameters

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Structural Highlights – What Sets the 7-Isomer Apart?

The 7-position substitution places the carboxylic acid immediately adjacent to the ring fusion point, creating a different vector for projecting the carboxylate group into protein binding pockets. This geometry can be advantageous when targeting enzymes with narrower or differently shaped active sites.

Frequently Asked Questions (FAQ)

Q1: How is this 7‑isomer different from the more common 2‑methylbenzothiazole‑6‑carboxylic acid (CAS 24851‑69‑2)?

A: The only structural difference is the position of the carboxylic acid group — here at the 7‑position, versus the 6‑position in the more common isomer. This seemingly small change has significant consequences: the 7‑isomer has a lower pKa (2.34 vs. 3.61), meaning it is a stronger acid and exists predominantly as the carboxylate anion at physiological pH. It also projects the carboxyl group into a different three‑dimensional space, which can dramatically affect binding affinity and selectivity in enzyme inhibition studies.

Q2: Why would a medicinal chemist choose the 7‑isomer over the 6‑isomer?

A: SAR (structure–activity relationship) studies. If a drug candidate bearing a 6‑substituted benzothiazole shows poor activity, synthesizing the 7‑substituted analog is a standard strategy to explore whether repositioning the substituent improves target engagement. Having both isomers available allows researchers to rapidly screen both vectors without having to develop new synthetic routes.

Contact Cosperpharm – Expand Your Benzothiazole Library

Need both benzothiazole isomers to complete your SAR study? Cosperpharm supplies both the 6‑carboxy (CAS 24851‑69‑2) and the 7‑carboxy (CAS 1261635‑97‑5) isomers with verified purity and full documentation. Whether you need a few milligrams for screening or hundreds of grams for lead optimization, we deliver consistent quality every time.