Description

(S)-4-(3-((tert-Butoxycarbonyl)Amino)-1-(Isoquinolin-6-Ylamino)-1-Oxopropan-2-Yl)Benzyl 2,4-Dimethylbenzoate CAS NO 1253955-19-9 is a sophisticated chiral organic compound featuring a complex molecular architecture that combines a protected amino acid backbone with an isoquinoline moiety and a benzyl ester group. This compound is of significant value as a key intermediate or building block in advanced organic synthesis, particularly for the development of novel pharmaceutical agents and bioactive molecules. It is primarily sought after by research institutions and pharmaceutical companies engaged in medicinal chemistry, peptide mimetic research, and the development of targeted therapies.

Application

• Pharmaceutical Intermediate: Serves as a critical chiral building block in the synthesis of potential drug candidates, especially those targeting specific enzyme or receptor interactions.
• Medicinal Chemistry Research: Used in structure-activity relationship (SAR) studies to explore and optimize the biological activity of novel compounds.
• Peptidomimetic Development: Its structure makes it valuable for creating non-peptide compounds that mimic the function of natural peptides, improving metabolic stability and bioavailability.
• Chemical Biology Probes: Can be utilized in the design and synthesis of molecular probes for studying biological pathways and protein functions.
• Custom Synthesis & Contract Manufacturing: A high-value starting material for custom synthesis projects requiring complex, multi-step organic transformations.
• Academic Research: Employed in university and institutional labs for methodological development in asymmetric synthesis and heterocyclic chemistry.

Basic Information

Product Name	(S)-4-(3-((tert-Butoxycarbonyl)Amino)-1-(Isoquinolin-6-Ylamino)-1-Oxopropan-2-Yl)Benzyl 2,4-Dimethylbenzoate
CAS No.	1253955-19-9
Molecular Formula	C33H36N4O5
Molecular Weight	568.67 g/mol
Synonyms	(S)-4-(3-((tert-Butoxycarbonyl)amino)-1-(isoquinolin-6-ylamino)-1-oxopropan-2-yl)benzyl 2,4-dimethylbenzoate; Boc-L-Phe(4-CH2O-2,4-diMeBz)-Iqn-OH; (S)-4-(3-(Boc-amino)-1-(isoquinolin-6-ylamino)-1-oxopropan-2-yl)benzyl 2,4-dimethylbenzoate; N-Boc-N'-isoquinolin-6-yl-L-phenylalanine 4-(2,4-dimethylbenzoyloxy)benzyl ester; CAS 1253955-19-9; Isoquinoline-6-carboxamide derivative; Protected amino acid isoquinoline conjugate
EINECS	Contact for details

Quality Control

Every batch of this high-purity synthetic intermediate is produced and analyzed under strict quality management protocols. We employ advanced analytical techniques including HPLC, NMR, and mass spectrometry to verify identity, chiral purity, and chemical integrity. A comprehensive Certificate of Analysis (COA) detailing purity, assay, and impurity profiles is provided with each shipment to ensure it meets the exacting standards required for pharmaceutical research and development.

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 compound is hygroscopic (moisture-sensitive); therefore, the container must be kept tightly sealed in a dry environment to prevent degradation. For long-term storage, consider desiccants or an inert atmosphere.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (IR)	Conforms to structure
Identification (HPLC)	Retention time matches reference standard
Purity (HPLC)	≥ 97.0%
Chiral Purity	≥ 99.0% ee
Water Content (KF)	≤ 1.0%
Residue on Ignition	≤ 0.5%

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