4-[2-(2-Amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic Acid (CAS 137281-39-1): Product Profile, Parameter and Industrial Application Analysis
1. Product Overview
4-[2-(2-Amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic Acid, commonly known as Pemetrexed Acid, is a high valuable pyrrolo-pyridine heterocyclic intermediate, widely used in drug synthesis and biomedical research.
As the core skeleton precursor of the multi-target antifolate anticancer drug pemetrexed disodium, this compound contains various active functional groups, including amino groups, Lactam structure and benzoic acid group. It can efficiently achieve structural derivatization and drug modification, and plays an irreplaceable role in the industrial synthesis of targeted anticancer drugs and the development of new inhibitors of the folate pathway.
2、 Basic Product Information
1）Product Name: 4-[2-(2-Amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic Acid
2）CAS NO.：137281-39-1
3）Molecular formula: C₂₀H₁₈N₄O₄
2）CAS NO.：137281-39-1
3）Molecular formula: C₂₀H₁₈N₄O₄
5）Structural formula:
6）Purity: ≥ 99%
7）Appearance: Off-white solid
8）Unspecified impurity: ≤0.2%
9) Total impurities: ≤1.0%
12）Product Manager Email:Cara@coreychem
7）Appearance: Off-white solid
8）Unspecified impurity: ≤0.2%
9) Total impurities: ≤1.0%
12）Product Manager Email:Cara@coreychem
3、 Frequently Asked Questions (FAQ)
1. Q: What is the basic chemical identification information of Pemetrexed Acid?
A: Its official chemical name is 4-[2-(2-Amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic Acid, with CAS No. 137281-39-1, molecular formula C₂₀H₁₈N₄O₄ and molecular weight 378.38.
2. Q: What is the physical appearance and standard purity of the product?
A: The product is off-white to light beige crystalline powder. The conventional industrial purity is ≥98% (HPLC), and the high-purity reference standard grade can reach ≥99% (HPLC), meeting API synthesis and quality detection requirements.
3. Q: What is the customs HS code and commodity classification?
A: The applicable HS code is 2933990099. It is classified as nitrogen-containing heterocyclic organic compound, belonging to professional pharmaceutical intermediates for R&D and production, not finished drugs.
4. Q: What are the standard storage and preservation requirements?
A: It needs to be tightly sealed and stored in a cool, dry and dark environment. It must be kept away from strong oxidizing agents, high temperature and humid conditions to avoid structural deterioration and purity decline.
5. Q: What are the transportation precautions for this product?
A: It belongs to conventional fine chemical intermediates with non-dangerous goods properties. During transportation, sealed packaging is required, avoiding long-term sunlight exposure, high-temperature stacking and mixing transportation with strong oxidizing and corrosive chemicals.
4、 Application Cases
1. Core Synthetic Intermediate of Antitumor API Application:
It is an indispensable precursor key substance for the industrial synthesis of pemetrexed disodium. Through reactions such as carboxyl condensation, salification, and modification of other functional groups, it can be transformed into the final anti-tumor raw material drug, which is clinically used for the treatment of malignant pleural mesothelioma and non-small cell lung cancer.
2. Pharmaceutical Impurity Reference Standard for Quality Control Application:
It is used as the standard reference substance for pemetrexed-related precursor impurities. It is widely employed in pharmaceutical factories and third-party testing institutions for the qualitative and quantitative detection of high-performance liquid chromatography (HPLC), the validation of analytical methods, product stability studies, and quality inspection for batch release.
3. Scaffold Building Block for New Antifolate Antitumor Drugs Application:
Relying on the stable pyrrole [2,3-d]pyrimidine active framework, this compound is used for the structural design, derivative development and synthesis of folate pathway inhibitors, providing a core molecular template for the research and development of new targeted anti-cancer candidate compounds.
4. Professional Heterocyclic Synthetic Chemical Block Application:
This molecule contains active amino groups, L-cyclizing groups and carboxyl functional groups, which can participate in cyclization, condensation and structural modification reactions. It is an important building block for the synthesis and optimization of nitrogen-containing heterocyclic drug derivatives.
5. Biomedical Laboratory Research Reagent Application:
Supplied to CRO companies, medical colleges and pharmaceutical research institutions, it is used for in vitro cell activity screening, enzyme inhibition experiments and research on the pharmacological mechanism of anti-tumor drugs, supporting the preclinical development projects of new drugs.
5、 Safety and Storage
1) Store in a cool, well ventilated area and keep the container tightly sealed；
2) Sensitive to light and moisture, avoid long-term exposure to humid air to prevent purity degradation；
3) Store away from direct light, recommended storage temperature at 2–8 °C；
4) Store separately from strong oxidants and corrosive chemicals.
6、Product Manager Information
Product Manager: Cara Lee
Email: cara@coreychem.com
