N-Methyl pemetrexed

Basic Information

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CAS Number

869791-42-4

Molecular Formula

C21H23N5O6

Molecular Weight

441.44 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

SMILES

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CN1C2=C(C(CCC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)=CN2)C(=O)N=C1N

InChI

InChI=1S/C21H23N5O6/c1-26-17-16(19(30)25-21(26)22)13(10-23-17)7-4-11-2-5-12(6-3-11)18(29)24-14(20(31)32)8-9-15(27)28/h2-3,5-6,10,14,23H,4,7-9H2,1H3,(H,24,29)(H,27,28)(H,31,32)(H2,22,25,30)/t14-/m0/s1

InChIKey

JKULRGFPYBAJTE-AWEZNQCLSA-N

LogP

0.6768000000000014

Topological Polar Surface Area

180.4 Å²

Hydrogen Bond Donor/Acceptor

6 / 11

Synonyms & References

English

N-Methyl Pemetrexed
N-Methyl pemetrexed

FAQ

What are the physical and chemical properties of N-Methyl pemetrexed (CAS: 869791-42-4)?

N-Methyl pemetrexed (CAS: 869791-42-4) is an antifolate drug. It exists in a crystalline form with a molecular weight of approximately 326.4 g/mol. This compound is sparingly soluble in water and ethanol. It is chemically stable but can undergo hydrolysis under basic conditions. N-Methyl pemetrexed should be stored at room temperature away from moisture and light.

How is N-Methyl pemetrexed (CAS: 869791-42-4) typically synthesized?

N-Methyl pemetrexed is synthesized via a multi-step process involving the protection of the pemetrexed core, methylation, and subsequent deprotection. Commonly used catalysts and reagents include sulfuric acid, methyl iodide, and sodium methoxide. This method yields a product with high purity and selectivity, making it suitable for pharmaceutical applications.

What industries use N-Methyl pemetrexed (CAS: 869791-42-4)?

N-Methyl pemetrexed (CAS: 869791-42-4) is primarily used in the pharmaceutical industry for treating certain types of cancer. It is also of interest in academic and industrial research for its antifolate properties. Some applications include drug discovery and development, as well as its use in medical treatments.

What precautions should be taken when handling N-Methyl pemetrexed (CAS: 869791-42-4)?

When handling N-Methyl pemetrexed (CAS: 869791-42-4), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work in a well-ventilated area or fume hood to minimize inhalation risks. Store the compound in a cool, dry place, away from incompatible materials like strong acids. In the event of a spill, consult the Safety Data Sheet (SDS) for proper cleanup procedures.