Description

4-Hydroxy-3-[3-[(1-Methylethyl-D7)Amino]-1-Phenylpropyl]-Benzoic Acid Methyl Ester is a high-purity, deuterated chemical intermediate of significant importance in advanced research and development. Its core value lies in its role as a labeled analog, enabling precise metabolic and pharmacokinetic studies in pharmaceutical discovery. This compound is primarily needed by research scientists and process chemists in the pharmaceutical, biotechnology, and contract research organization (CRO) sectors for use in drug development programs.

Application

• Pharmaceutical Research: Critical intermediate in the synthesis of deuterated drug candidates for improved metabolic stability and pharmacokinetic profiling.
• Metabolic Pathway Tracing: Used as a stable isotope-labeled internal standard in LC-MS/MS and GC-MS analysis for accurate quantification in biological matrices.
• Mechanistic Studies: Enables investigation of drug metabolism and disposition (DMPK) through isotope effect studies.
• Process Chemistry: Serves as a building block in the development and scale-up of novel active pharmaceutical ingredients (APIs).
• Analytical Reference Standard: Provides a certified material for method development, validation, and quality control in analytical laboratories.

Basic Information

Product Name	4-Hydroxy-3-[3-[(1-Methylethyl-D7)Amino]-1-Phenylpropyl]-Benzoic Acid Methyl Ester
CAS No.	1794780-63-4
Molecular Formula	C20H18D7NO3
Molecular Weight	~330.5 g/mol
Synonyms	Methyl 4-hydroxy-3-[3-[(1-methylethyl-d7)amino]-1-phenylpropyl]benzoate; Deuterated Isopropylamino Benzoate Ester; (D7)-Isopropyl Labeled Intermediate; Benzoic acid, 4-hydroxy-3-[3-[(1-methylethyl-d7)amino]-1-phenylpropyl]-, methyl ester; CAS 1794780-63-4
EINECS	Contact for details

Quality Control

Our deuterated compounds are produced under strict quality management systems. Each batch undergoes comprehensive analytical characterization, including NMR (1H, 13C), high-resolution mass spectrometry (HRMS), and HPLC purity analysis to confirm chemical identity, isotopic enrichment (D7), and purity. Certificates of Analysis (COA) detailing all specifications are provided with every shipment.

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 when possible to maintain stability and purity.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Isotopic Enrichment (D7)	≥ 98 atom % D
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%

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