(S)-Methyl 2-(5-(((R)-2-amino-3-mercaptopropyl)amino)-[1,1'-biphenyl]-2-ylcarboxamido)-4-(methylthio)butanoate 2,2,2-trifluoroacetate CAS 1217447-06-7
| CAS No. | 1217447-06-7 |
| Molecular Formula | C22H29N3O3S2 |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of (S)-Methyl 2-(5-(((R)-2-amino-3-mercaptopropyl)amino)-[1,1'-biphenyl]-2-ylcarboxamido)-4-(methylthio)butanoate 2,2,2-trifluoroacetate is closely related to a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
(S)-Methyl 2-(5-(((R)-2-amino-3-mercaptopropyl)amino)-[1,1'-biphenyl]-2-ylcarboxamido)-4-(methylthio)butanoate 2,2,2-trifluoroacetate (CAS 1217447-06-7) is a high-purity analytical reference standard with the molecular formula C22H29N3O3S2C2HF3O2 and a molecular weight of 561.63 g/mol.
The molecular framework of (S)-Methyl 2-(5-(((R)-2-amino-3-mercaptopropyl)amino)-[1,1'-biphenyl]-2-ylcarboxamido)-4-(methylthio)butanoate 2,2,2-trifluoroacetate (C22H29N3O3S2C2HF3O2) is characterized by a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution. 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. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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 | C22H29N3O3S2 C2HF3O2 |
| Molecular Weight | 561.63 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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1990 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 2 |
Recommended Standards
- 4-bromopyridine-2,5-diamine (CAS 1806851-06-8)
- methyl 5,6-dihydroxypyridine-2-carboxylate (CAS 1260883-63-3)
- N-(5-Thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)acetamide (CAS 68744-65-0)
- 2-Amino-7,7a,8,9,10,11-hexahydro-6h,13h-benzo[b]pyrido[1,2-e][1,5]oxazocin-13-one (CAS 1447966-98-4)
- N-(quinolin-4-ylmethyl)cyclobutanamine (CAS 1342972-48-8)
- Ethyl 5-((ethylsulfonyl)methyl)-4,5-dihydroisoxazole-3-carboxylate (CAS 1707403-05-1)
- 3-Fluoro-5-methoxy-4'-methylthiobiphenyl (CAS 1365272-00-9)
- N,N-Dimethyl-N′-[[1-(4-methylphenyl)-5-oxo-3-pyrrolidinyl]methyl]sulfamide (CAS 954608-61-8)
- (R)-(3-Chloro-2-hydroxypropyl)phosphonic acid (CAS 221627-94-7)
- Semaglutide impurity 197 (CAS CATO-C4X-2226197)
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