(1S,3R)-3-acetamido-N-[5-chloro-4-(5,5-dimethyl-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl)pyridin-2-yl]cyclohexane-1-carboxamide CAS 2057509-72-3
| CAS No. | 2057509-72-3 |
| Molecular Formula | C22H28ClN5O2 |
| Molecular Weight | 429.94 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The molecular framework of (1S,3R)-3-acetamido-N-[5-chloro-4-(5,5-dimethyl-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl)pyridin-2-yl]cyclohexane-1-carboxamide (C22H28ClN5O2) is characterized by a steroid core, an amide group, a hydroxyl group, an ether linkage, chlorine 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. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
(1S,3R)-3-acetamido-N-[5-chloro-4-(5,5-dimethyl-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl)pyridin-2-yl]cyclohexane-1-carboxamide (CAS 2057509-72-3), molecular formula C22H28ClN5O2 and molecular weight 429.94 g/mol, is a CATO reference standard with documented purity and traceability.
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 | C22H28ClN5O2 |
| Molecular Weight | 429.94 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| Purity | >95% |
| 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) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1997 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 5 |
Recommended Standards
- Rupatadine impurity 6 (CAS 156523-04-5)
- 2-(4-tert-Butylphenoxy)-3-(4-chlorobenzenesulfonyl)-4,6-dimethylpyridine (CAS 478245-25-9)
- Rupatadine Impurity 38 (CAS CATO-C4X-102738)
- Bendamustine impurity 32 (CAS CATO-C4X-127132)
- 3-Methylamino-cyclohexanol (CAS 89854-96-6)
- Diethyl Iminodicarboxylate (CAS 19617-44-8)
- 3-(2-Bromobenzo[d]oxazol-6-yl)acrylic acid (CAS 1803425-45-7)
- 8-bromo-2-iodo-[1,2,4]triazolo[1,5-a]pyridine (CAS 1206640-83-6)
- 2-(2H-benzo[d][1,2,3]triazol-2-yl)propanoic acid (CAS 4144-69-8)
- 5-chloro-2-methyl-1,6-naphthyridine (CAS 1001754-84-2)
- 3,5-dimethylbenzoyl chloride 5-(Chlorocarbonyl)-m-xylene 5-(Chloroformyl)-m-xylene 6613-44-1 (CAS 6613-44-1)
- 2,2,4,4,6,6-Hexakis(2,2,3,3-tetrafluoropropoxy)-2λ5,4λ5,6λ5-1,3,5,2,4,6-triazatriphosphorine (CAS 58943-98-9)
- 5-Cyclopropoxy-2-(trifluoromethyl)pyridine-4-sulfonamide (CAS 1243463-52-6)
- Liraglutide(14-22)TFA Salt (CAS CATO-C4X-199212)
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