Description

1-[4-Amino-7-(3-Hydroxypropyl)-5-(4-Methylphenyl)-7H-Pyrrolo[2,3-D]Pyrimidin-6-Yl]-2-Chloro-Ethanone-D6 is a high-purity, deuterium-labeled pyrrolopyrimidine derivative, serving as a critical stable isotope-labeled intermediate. This compound matters for its role in enabling precise pharmacokinetic and metabolic studies in pharmaceutical research and development. It is primarily needed by pharmaceutical companies, contract research organizations (CROs), and academic institutions engaged in the synthesis and analysis of deuterated drug candidates and their metabolites.

Application

• Deuterated Pharmaceutical Intermediate: A key building block in the synthesis of deuterium-labeled active pharmaceutical ingredients (APIs) for improved metabolic stability and pharmacokinetic profiling.
• Internal Standard for Mass Spectrometry: Used as a quantitative internal standard in LC-MS/MS and GC-MS bioanalytical methods to ensure accuracy in drug metabolism and pharmacokinetics (DMPK) studies.
• Metabolite Synthesis & Identification: Facilitates the synthesis and structural elucidation of human metabolites for regulatory submission and safety assessment.
• Mechanistic Studies: Enables isotope tracing experiments to study reaction mechanisms and metabolic pathways in medicinal chemistry.
• Proteomics & Biomarker Research: Can be utilized in chemical proteomics for target identification and in the development of assays for biomarker discovery.

Basic Information

Product Name	1-[4-Amino-7-(3-Hydroxypropyl)-5-(4-Methylphenyl)-7H-Pyrrolo[2,3-D]Pyrimidin-6-Yl]-2-Chloro-Ethanone-D6
CAS No.	1329838-71-2
Molecular Formula	C18H13D6ClN4O2
Molecular Weight	360.87 g/mol
Synonyms	2-Chloro-1-[4-amino-7-(3-hydroxypropyl)-5-(p-tolyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]ethanone-d6; 2-Chloro-1-[4-amino-7-(3-hydroxypropyl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]ethanone (deuterated); Deuterated Pyrrolopyrimidine Chloroethanone; 1-[4-Amino-7-(3-hydroxypropyl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-chloroethanone (hexadeuterated); D6-Labeled Chloroacetyl Pyrrolopyrimidine; (D6)-1-(4-Amino-7-(3-hydroxypropyl)-5-(p-tolyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-2-chloroethanone
EINECS	Contact for details

Quality Control

Our deuterated compounds are manufactured under strict quality control protocols to ensure isotopic purity and chemical integrity. Each batch is characterized by advanced analytical techniques including NMR (¹H, ¹³C, ²H), HPLC, and mass spectrometry. Certificates of Analysis (COA) are provided, detailing isotopic enrichment (typically ≥98 atom % D), chemical purity (≥95% by HPLC), and confirming structural identity. We adhere to cGMP principles where applicable for pharmaceutical-grade materials.

Storage

Preserve in a tightly closed container, protected from light. Store at controlled room temperature (15-25°C) or as indicated on the label or COA. This material is hygroscopic (moisture-sensitive); keep the container tightly sealed in a dry environment. For long-term storage, consider storing under an inert atmosphere.

Specification

Item	Specification
Appearance	Off-white to light yellow solid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 95.0%
Isotopic Purity (²H NMR/MS)	≥ 98 atom % D
Water Content (KF)	≤ 1.0%
Residual Solvents (GC)	Complies with ICH guidelines

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.