benzyl (S)-2-((S)-2-amino-3-(3-(methylsulfonyl)phenyl)propanamido)-3-(3-(methylsulfonyl)phenyl)propanoate CAS CATO-CIM-105797
| CAS No. | CATO-CIM-105797 |
| Molecular Formula | C27H30N2O7S2 |
| Molecular Weight | 558.67 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including benzyl (S)-2-((S)-2-amino-3-(3-(methylsulfonyl)phenyl)propanamido)-3-(3-(methylsulfonyl)phenyl)propanoate.
CATO supplies benzyl (S)-2-((S)-2-amino-3-(3-(methylsulfonyl)phenyl)propanamido)-3-(3-(methylsulfonyl)phenyl)propanoate (CAS CATO-CIM-105797), a certified reference material (molecular formula C27H30N2O7S2, MW 558.67 g/mol) for analytical method development and quality control.
Based on its molecular formula C27H30N2O7S2, benzyl (S)-2-((S)-2-amino-3-(3-(methylsulfonyl)phenyl)propanamido)-3-(3-(methylsulfonyl)phenyl)propanoate contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 558.67 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
Physical & Chemical Properties
| Molecular Formula | C27H30N2O7S2 |
| Molecular Weight | 558.67 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening |
| Degree of Unsaturation (DBE) | 14.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 2 |
Recommended Standards
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- Atrasentan Impurity 68 (CAS 1058402-54-2)
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