Description

Methyl 2-[2-(Benzyloxycarbonylamino)-(1,3-D6-Propan)-2-Yl]-5-Hydroxy-1-(Methyl-D3)-6-Oxo-1,6-Dihydropyrimidine-4-Carboxylate is a sophisticated, deuterium-labeled pyrimidine derivative, specifically designed for advanced research and development. This compound is of critical importance as a stable isotope-labeled intermediate or reference standard in pharmaceutical discovery and metabolic studies. It is primarily needed by research scientists and process chemists in the pharmaceutical, biotechnology, and contract research organization (CRO) sectors working on novel drug candidates, particularly in areas requiring precise analytical quantification.

Application

• Pharmaceutical Research & Development: Serves as a key deuterium-labeled intermediate in the synthesis of novel active pharmaceutical ingredients (APIs) for metabolic and pharmacokinetic (DMPK) studies.
• Analytical Reference Standard: Used as an internal standard in Liquid Chromatography-Mass Spectrometry (LC-MS) and Nuclear Magnetic Resonance (NMR) for accurate quantification and method validation.
• Isotope Labeling Studies: Enables tracing of metabolic pathways and the investigation of drug metabolism and stability through the use of stable isotopes (Deuterium, D).
• Process Chemistry & Scale-Up: Acts as a building block in the development and optimization of synthetic routes for complex heterocyclic compounds under Good Manufacturing Practice (GMP) conditions.
• Biochemical Research: Potential use in probing enzyme mechanisms or as a specialized reagent in medicinal chemistry programs targeting specific biological pathways.

Basic Information

Item	Details
Product Name	Methyl 2-[2-(Benzyloxycarbonylamino)-(1,3-D6-Propan)-2-Yl]-5-Hydroxy-1-(Methyl-D3)-6-Oxo-1,6-Dihydropyrimidine-4-Carboxylate
CAS No.	1100750-74-0
Molecular Formula	C18H14D9N3O6
Molecular Weight	~ 380.42 g/mol
Synonyms	Methyl 2-[2-[(benzyloxy)carbonylamino]-1,1,1,3,3,3-hexadeuterio-2-propanyl]-5-hydroxy-1-(trideuteriomethyl)-6-oxo-1,6-dihydro-4-pyrimidinecarboxylate; Deuterated Pyrimidine Carboxylate Derivative; CBZ-Protected Deuterated Pyrimidine Ester; (Z)-Methyl 2-(2-((benzyloxy)carbonylamino)-1,1,1,3,3,3-hexadeuteriopropan-2-yl)-5-hydroxy-1-(trideuteriomethyl)-6-oxo-1,6-dihydropyrimidine-4-carboxylate; CAS 1100750-74-0; Deuterium Labeled API Intermediate
EINECS	Contact for details

Quality Control

Our deuterium-labeled compounds are produced and tested under stringent quality systems to ensure high isotopic purity and chemical integrity, essential for sensitive analytical applications. Each batch is supported by a comprehensive Certificate of Analysis (COA) detailing purity (by HPLC), isotopic enrichment (by MS or NMR), and identity confirmation. We adhere to relevant industry standards for research chemicals, and custom purity grades are available to meet specific project requirements.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry place at a controlled room temperature (15-25°C). This product is hygroscopic (moisture-sensitive) and should be handled under anhydrous conditions to maintain stability. For long-term storage, consider storing under an inert atmosphere.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 95.0%
Isotopic Purity (Deuterium Enrichment)	≥ 98 atom % D (by MS or 2H NMR)
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.