Description

3α,7α,12α-Tris(2,2,3,3,4,4,4-Heptafluoro-1-Oxobutoxy)-5β-Cholan-24-Oic Acid Methyl Ester is a highly fluorinated derivative of cholic acid, a primary bile acid, designed for advanced research and development. This compound is valued for its unique chemical structure, which introduces significant lipophilicity and metabolic stability due to the perfluorinated side chains. It serves as a critical synthetic intermediate or reference standard for scientists in pharmaceutical discovery, particularly in the development of novel diagnostics, targeted therapies, and metabolic probes. Its specialized nature makes it essential for high-value applications requiring precise molecular modification.

Application

• Pharmaceutical Research & Development: As a key synthetic intermediate in the creation of novel fluorinated bile acid analogs for drug discovery programs.
• Metabolic Pathway Studies: Used as a probe or tracer in biochemical research to investigate bile acid transport, metabolism, and related disorders.
• Diagnostic Agent Development: Serves as a precursor for developing contrast agents or radiopharmaceuticals for medical imaging (e.g., PET, MRI).
• Chemical Biology: Employed in studying protein-ligand interactions where fluorination is used to modulate binding affinity and stability.
• Advanced Material Science: Potential use in creating surface-active compounds or specialty surfactants with unique fluorochemical properties.
• Reference Standard: Provides a high-purity standard for analytical method development and quality control in related chemical synthesis.

Basic Information

Item	Details
Product Name	3α,7α,12α-Tris(2,2,3,3,4,4,4-Heptafluoro-1-Oxobutoxy)-5β-Cholan-24-Oic Acid Methyl Ester
CAS No.	57326-14-4
Molecular Formula	C39H39F21O10
Molecular Weight	1066.70 g/mol
Synonyms	Methyl 3α,7α,12α-tris(2,2,3,3,4,4,4-heptafluorobutanoyloxy)-5β-cholan-24-oate; 3α,7α,12α-Tris(heptafluorobutyryloxy)-5β-cholan-24-oic acid methyl ester; Cholic acid tris(heptafluorobutyrate) methyl ester; Methyl cholate tris(heptafluorobutyrate); Tris(heptafluorobutyryl) methyl cholate; Fluorinated cholic acid methyl ester; 5β-Cholan-24-oic acid, 3α,7α,12α-tris(2,2,3,3,4,4,4-heptafluoro-1-oxobutoxy)-, methyl ester
EINECS	Contact for details

Quality Control

Our 3α,7α,12α-Tris(2,2,3,3,4,4,4-Heptafluoro-1-Oxobutoxy)-5β-Cholan-24-Oic Acid Methyl Ester is produced under strict quality management protocols. Each batch undergoes rigorous analytical testing, including HPLC for purity and spectroscopic identification (NMR, MS), to ensure it meets exacting specifications for research and development. Certificates of Analysis (COA) detailing batch-specific results are available upon request. We support compliance with relevant research and development standards.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry place at a controlled room temperature (15-25°C). Due to its hygroscopic (moisture-sensitive) nature, the container must be kept tightly sealed in a desiccated environment to prevent degradation. For long-term storage, consider inert atmosphere conditions.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 95.0%
Water Content (KF)	≤ 1.0%
Residual Solvents (GC)	Meets ICH guidelines

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