Description

(3aR,4R,5R,6aS)-5-hydroxy-4-[2-[2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecadeuterioheptyl)-1,3-dioxolan-2-yl]ethyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one is a high-purity, deuterated chemical intermediate of significant value for advanced research and development. Its primary importance lies in its role as a stable isotope-labeled analog, enabling precise metabolic, pharmacokinetic, and mechanistic studies in pharmaceutical discovery. This compound is essential for researchers and manufacturers in the pharmaceutical, biotechnology, and agrochemical sectors who require high-fidelity isotopic tracers for analytical and diagnostic applications.

Application

• Pharmaceutical Research: As a deuterium-labeled internal standard for the accurate quantification of active pharmaceutical ingredients (APIs) and metabolites in bioanalytical methods (LC-MS/MS).
• Drug Metabolism and Pharmacokinetics (DMPK): Used in tracer studies to investigate the absorption, distribution, metabolism, and excretion (ADME) profiles of drug candidates without isotopic interference.
• Mechanistic Studies: Employed to elucidate biochemical pathways and reaction mechanisms through kinetic isotope effect (KIE) experiments.
• Diagnostic Agent Development: Serves as a key building block for synthesizing advanced contrast agents or probes used in imaging techniques like mass spectrometry imaging.
• Process Chemistry: Acts as a labeled intermediate in the synthesis of more complex deuterated compounds for use in regulatory and quality control environments.

Basic Information

Product Name	(3aR,4R,5R,6aS)-5-hydroxy-4-[2-[2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecadeuterioheptyl)-1,3-dioxolan-2-yl]ethyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CAS No.	1217783-38-4
Molecular Formula	C₂₁H₂₉D₁₅O₅
Molecular Weight	~407.6 g/mol (exact mass varies with isotopic distribution)
Synonyms	Deuterated Heptyl Dioxolane Furanone; Pentadecadeuterioheptyl-substituted Cyclopentafuranone; Isotope Labeled Furanone Intermediate; [D₁₅]-Labeled Prostaglandin Intermediate Analog; 5-Hydroxy-4-[2-[2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecadeuterioheptyl)-1,3-dioxolan-2-yl]ethyl]hexahydrocyclopenta[b]furan-2-one; Deuterated Lactone Derivative; Stable Isotope-Labeled Building Block
EINECS	Contact for details

Quality Control

Every batch of this deuterated compound is produced and analyzed under strict quality control protocols to ensure isotopic purity, chemical purity, and structural integrity. Our products undergo rigorous testing, including NMR (¹H, ¹³C, ²H), high-resolution mass spectrometry (HRMS), and HPLC to verify deuterium incorporation and chemical specifications. A comprehensive Certificate of Analysis (COA) detailing isotopic enrichment (atom % D), chemical purity, and analytical data is provided with each shipment.

Storage

Preserve in a tightly closed container, protected from light. Store at controlled room temperature (15-25°C) in a dry environment. For long-term storage, consider storing under an inert atmosphere (argon or nitrogen) at -20°C to maximize stability.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Isotopic Purity (Atom % D)	≥ 98.0% (by MS)
Water Content (KF)	≤ 0.5%
Residual Solvents (GC)	Meets ICH guidelines

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