Ethyl 6-amino-4-(4-chlorophenyl)-5-cyano-2-(((3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)thio)methyl)-4H-pyran-3-carboxylate CAS 339163-49-4
| CAS No. | 339163-49-4 |
| Molecular Formula | C28H27ClN4O3S |
| Molecular Weight | 535.06 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 Ethyl 6-amino-4-(4-chlorophenyl)-5-cyano-2-(((3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)thio)methyl)-4H-pyran-3-carboxylate.
Ethyl 6-amino-4-(4-chlorophenyl)-5-cyano-2-(((3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)thio)methyl)-4H-pyran-3-carboxylate (CAS 339163-49-4), molecular formula C28H27ClN4O3S and molecular weight 535.06 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, Ethyl 6-amino-4-(4-chlorophenyl)-5-cyano-2-(((3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)thio)methyl)-4H-pyran-3-carboxylate (C28H27ClN4O3S) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 17.0, corresponding to approximately 17 ring(s) or double-bond equivalent(s). With a molecular weight of 535.06 g/mol, it falls into the moderately-high-molecular-weight range. 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 | C28H27ClN4O3S |
| Molecular Weight | 535.06 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) | 17.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |
Related Ethyl Standards
- Ethyl 6-amino-4-(2-chlorophenyl)-5-cyano-2-[({3-cyano-5H,6H,7H,8H,9H,10H-cycloocta[b]pyridin-2-yl}sulfanyl)methyl]-4H-pyran-3-carboxylate (CAS 316358-94-8)
- 3-Amino-N-(2,3-dichlorophenyl)-4-(2-methoxyphenyl)-6-(p-tolyl)thieno[2,3-b]pyridine-2-carboxamide (CAS 444153-49-5)
- 3-Amino-N-(2,3-dichlorophenyl)-4-(4-methoxyphenyl)-6-(p-tolyl)thieno[2,3-b]pyridine-2-carboxamide (CAS 444153-43-9)
- 3-Amino-N-(2-chlorobenzyl)-6-(3,4-dimethoxybenzyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (CAS 939889-17-5)
- 4-Amino-2-methylbenzene-1-sulfonyl fluoride (CAS 21320-92-3)
- 5-Amino-6-chloro-2-phenylpyridazin-3(2H)-one (CAS 1698-59-5)
- 3-Amino-4-(4-methoxyphenyl)-6-(p-tolyl)-N-(2-(trifluoromethyl)phenyl)thieno[2,3-b]pyridine-2-carboxamide (CAS 332155-24-5)
- 1-(29-Amino-3,6,9,12,15,18,21,24,27-nonaoxanonacosyl)-1H-pyrrole-2,5-dione (CAS 2170654-78-9)
Recommended Standards
- Isopropyl 6-amino-4-(2-chlorophenyl)-5-cyano-2-(((3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)thio)methyl)-4H-pyran-3-carboxylate (CAS 445384-05-4)
- N-Octatriacontane (CAS 7194-85-6)
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- 2-Oxo-2-((4-(pyrrolidin-1-ylsulfonyl)phenyl)amino)ethyl 2-(methylthio)nicotinate (CAS 475055-38-0)
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- [(3,4-Dimethoxyphenyl)methyl](propyl)amine (CAS 807342-83-2)
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- 1,4-Diamino-7-chloro-2-(4-(methylthio)phenoxy)anthracene-9,10-dione (CAS 88605-35-0)
- Ephrin-A2-Selective YSA-Peptide (CAS 532441-10-4)
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