2-((2-Cyano-3-methylbutan-2-yl)amino)-2-oxoethyl (2-phenylacetyl)valinate CAS 1008409-98-0
| CAS No. | 1008409-98-0 |
| Molecular Formula | C21H29N3O4 |
| Molecular Weight | 387.47 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 2-((2-Cyano-3-methylbutan-2-yl)amino)-2-oxoethyl (2-phenylacetyl)valinate.
2-((2-Cyano-3-methylbutan-2-yl)amino)-2-oxoethyl (2-phenylacetyl)valinate (CAS 1008409-98-0), molecular formula C21H29N3O4 and molecular weight 387.47 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 2-((2-Cyano-3-methylbutan-2-yl)amino)-2-oxoethyl (2-phenylacetyl)valinate (C21H29N3O4) is characterized by a flavonoid core, an amide group, a hydroxyl group, an ether linkage. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C21H29N3O4 |
| Molecular Weight | 387.47 g/mol |
| Appearance | Pale yellow to yellow crystalline powder |
| Purity | 97%+ |
| Storage | Store at 2-8°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) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1988 |
| Nitrogen Atoms | 3 |
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Recommended Standards
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- Sacubitrilat-d4 (CAS CATO-CCAD304680)
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- (6-Methoxypyridin-2-yl)methanesulfonyl chloride (CAS 1342719-66-7)
- 4-Chloro-5-methyl-N-(4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)pyrimidin-2-amine (CAS 1138473-55-8)
- Methotrexate Impurity 23 (CAS CATO-C4X-115423)
- N-Benzyl-N-methylformamide (CAS 17105-71-4)
- 2-bromo-5,6,7-trichloro-1H-benzimidazole (CAS 1520072-94-9)
- 1-(4-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carbonyl chloride (CAS 175137-19-6)
- N’-(4-Acetylaminophenyl)-N,N-dimethylacetamidine-d6 (CAS 1795137-54-0)
- 4,4'-(Propane-1,3-diylbis(oxy))bis(benzene-1,3-diamine) tetrahydrochloride (CAS 74918-21-1)
- 141801-03-8 IL-1 Receptor Peptide (human) (CAS 141801-03-8)
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