(3R)-N-[(2S,4E,6R,8S)-8-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]-2,4,6-trimethyl-1-oxo-4-nonen-1-yl]-L-alanyl-2-bromo-N-methyl-D-tryptophyl-3-[4-[[tris(1-methylethyl)silyl]oxy]phenyl]-β-alanine Methyl Ester CAS 943858-37-5
| CAS No. | 943858-37-5 |
| Molecular Formula | C52H83BrN4O7Si2 |
| Molecular Weight | 1012.31 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Based on its molecular formula C52H83BrN4O7Si2, (3R)-N-[(2S,4E,6R,8S)-8-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]-2,4,6-trimethyl-1-oxo-4-nonen-1-yl]-L-alanyl-2-bromo-N-methyl-D-tryptophyl-3-[4-[[tris(1-methylethyl)silyl]oxy]phenyl]-β-alanine Methyl Ester contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, bromine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 1012.31 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
(3R)-N-[(2S,4E,6R,8S)-8-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]-2,4,6-trimethyl-1-oxo-4-nonen-1-yl]-L-alanyl-2-bromo-N-methyl-D-tryptophyl-3-[4-[[tris(1-methylethyl)silyl]oxy]phenyl]-β-alanine Methyl Ester (CAS 943858-37-5), molecular formula C52H83BrN4O7Si2 and molecular weight 1012.31 g/mol, is a CATO reference standard with documented purity and traceability.
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 | C52H83BrN4O7Si2 |
| Molecular Weight | 1012.31 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; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 4 |
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