Exatecan Intermediate 1 (Exatecan Intermediate) CAS 110351-94-5 NT

Exatecan Intermediate 1 (CAS 110351-94-5), also known as (S)-4-Ethyl-4-hydroxy-7,8-dihydro-1H-pyrano[3,4-f]indolizine-3,6,10(4H)-trione or (4S)-4-Ethyl-7,8-dihydro-4-hydroxy-1H-pyrano[3,4-f]indolizine-3,6,10(4H)-trione, is a key synthetic intermediate in the production of Exatecan (DX-8951) . This compound is also identified as a key intermediate in the synthesis of Irinotecan and other Camptothecin analogs .

Role in Exatecan and ADC Synthesis:

Exatecan is a water-soluble camptothecin analog and a non-prodrug that exhibits potent antitumor activity as a DNA topoisomerase I inhibitor . It is widely used as a cytotoxin payload in antibody-drug conjugates (ADCs) for targeted cancer therapy . Exatecan interferes with the proliferation and division of tumor cells by interacting with DNA, thereby inhibiting tumor growth . This compound serves as a critical building block (compound 6) in the multi-step synthesis of the API, introducing the tricyclic core structure essential for the drug's biological activity . Exatecan is primarily used in research for various cancers including ovarian, lung, and breast cancers .

Key Features:

• High Purity: ≥ 98% (HPLC), meeting rigorous quality standards

• Key Intermediate: Essential for the synthesis of Exatecan API and Camptothecin analogs

• ADC Payload Precursor: Used in the development of antibody-drug conjugates

• Well-characterized with available analytical data

• Regulatory Support: Can be provided with detailed characterization data

Chemical Characteristics:

• Molecular formula: C₁₃H₁₃NO₅ 

• Molecular weight: 263.25 g/mol 

• Melting point: 183-185°C (decomp.) 

• Boiling point: 666.6±55.0 °C (Predicted) 

• Density: 1.50±0.1 g/cm³ (Predicted) 

• LogP: -0.8 to -0.94 

• pKa: 11.20±0.20 (Predicted) 

• SMILES: CCC1(C2=C(COC1=O)C(=O)N3CCC(=O)C3=C2)O 

• InChIKey: IGKWOGMVAOYVSJ-ZDUSSCGKSA-N 

Applications:

• Pharmaceutical R&D: As a key intermediate in the synthesis of Exatecan API, Irinotecan, and other Camptothecin analogs

• ADC Development: Used as a precursor for ADC cytotoxin payloads

• Analytical R&D: Serves as a reference standard for quality control (QC) and analytical method development (AMV)

• Cancer Research: Used in studies involving topoisomerase I inhibition and targeted cancer therapy

• Regulatory Submissions: Used in ANDA and DMF filings for Exatecan-related drug products

Packaging: ___ (e.g.: 1g, 5g, 10g, 25kg per package, as per customer's request)

Storage: Powder: -20°C for up to 3 years; 4°C for up to 2 years. In solvent: -80°C for 6 months; -20°C for 1 month . Recommended storage temperature: 2-8°C (Refrigerator), sealed in dry conditions

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