Description

4-Fluoro-1,3-dihydro-2H-isoindole-2-carboxylic acid (2R,6S,12Z,13aS,14aR,16aS)-14a-[[(cyclopropylsulfonyl)amino]carbonyl]-6-[[(1,1-dimethylethoxy)carbonyl]amino]-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydro-5,16-dioxocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl ester sodium salt is a high-purity, complex macrocyclic compound designed for advanced pharmaceutical research and development. This molecule serves as a critical intermediate or active pharmaceutical ingredient (API) in the synthesis of novel therapeutic agents, particularly in oncology and antiviral drug discovery. It is essential for pharmaceutical companies, biotechnology research labs, and contract development and manufacturing organizations (CDMOs) engaged in cutting-edge medicinal chemistry.

Application

• Pharmaceutical Intermediate: Key building block for the synthesis of complex macrocyclic drug candidates targeting specific enzymes or receptors.
• Oncology Research: Used in the development of novel chemotherapeutic agents and targeted cancer therapies.
• Antiviral Drug Development: Potential intermediate for protease inhibitors or other antiviral compounds due to its complex peptidomimetic structure.
• Medicinal Chemistry & SAR Studies: Enables structure-activity relationship (SAR) studies to optimize potency, selectivity, and pharmacokinetic properties of lead compounds.
• Preclinical & Clinical Trial Material: Sourced for the production of materials required for non-clinical studies and early-phase clinical trials under GMP guidelines.
• Process Chemistry & Scale-Up: Serves as a reference standard or starting material for process development and optimization of synthetic routes.

Basic Information

Product Name	4-Fluoro-1,3-dihydro-2H-isoindole-2-carboxylic acid (2R,6S,12Z,13aS,14aR,16aS)-14a-[[(cyclopropylsulfonyl)amino]carbonyl]-6-[[(1,1-dimethylethoxy)carbonyl]amino]-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydro-5,16-dioxocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl ester sodium salt
CAS No.	916826-48-7
Molecular Formula	Contact for details
Molecular Weight	Contact for details
Synonyms	Boc-Dap(Boc)-Dab(Fmoc)-OH; (2R,6S,12Z,13aS,14aR,16aS)-2-[(4-Fluoro-2,3-dihydro-1H-isoindole-2-carbonyl)oxy]-14a-[(cyclopropylsulfonyl)carbamoyl]-6-[(tert-butoxycarbonyl)amino]-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydro-5,16-dioxocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine sodium salt; Macrocyclic Peptidomimetic Sodium Salt; CAS 916826-48-7
EINECS	Contact for details

Quality Control

Our products undergo rigorous quality testing to ensure compliance with industry standards for pharmaceutical intermediates. We employ advanced analytical techniques including HPLC, LC-MS, NMR, and chiral analysis to verify identity, purity, and isomeric composition. Certificates of Analysis (COA) detailing batch-specific results are available upon request. Production can be aligned with GMP guidelines for applications requiring higher regulatory standards.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry place at a controlled room temperature (typically 15-25°C). This material is hygroscopic (moisture-sensitive) and must be kept under anhydrous conditions. For long-term storage, consider storing under an inert atmosphere such as argon or nitrogen.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (HPLC)	Conforms to reference standard
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 95.0%
Water Content (KF)	≤ 2.0%
Residual Solvents (GC)	Complies with ICH Q3C guidelines
Heavy Metals	≤ 20 ppm
Specific Rotation	Contact for details

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