Identification, synthesis, and characterization of an unprecedented N-(2-carboxyethyl) adduct impurity in an injectable ganirelix formulation.
Rohit JadavRamraj KameriyaSaurav ChatterjeeVinod GourParva PurohitAnupam BandyopadhyayPublished in: Journal of peptide science : an official publication of the European Peptide Society (2023)
Ganirelix, a peptide-based drug used to treat female infertility, has been in high market demand, which attracted generic formulation. A hitherto unknown impurity of ganirelix was observed in our formulation process, which reached ~0.3% in 6 months and led to a detailed investigation of its structure. In-depth analysis of ESI-MS/MS data of this impurity coupled with an artificial intelligence prediction tool led to a highly unusual putative structure, that is, N-(2-carboxyethyl)-ganirelix ( N CE-GA), which was authenticated by chemical synthesis from ganirelix and NMR analysis and via corroborated HPLC and MS/MS data with the formulation-derived impurity.
Keyphrases
- ms ms
- artificial intelligence
- big data
- drug delivery
- machine learning
- liquid chromatography tandem mass spectrometry
- electronic health record
- deep learning
- magnetic resonance
- pet ct
- ultra high performance liquid chromatography
- emergency department
- data analysis
- mass spectrometry
- health insurance
- optical coherence tomography
- skeletal muscle
- metabolic syndrome
- simultaneous determination
- insulin resistance
- polycystic ovary syndrome
- adverse drug
- high resolution mass spectrometry