Methyl 6-amino-5-cyano-2-(((3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)thio)methyl)-4-(4-fluorophenyl)-4H-pyran-3-carboxylate CAS 354556-45-9
| CAS No. | 354556-45-9 |
| Molecular Formula | C27H25FN4O3S |
| Molecular Weight | 504.58 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
CATO supplies Methyl 6-amino-5-cyano-2-(((3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)thio)methyl)-4-(4-fluorophenyl)-4H-pyran-3-carboxylate (CAS 354556-45-9), a certified reference material (molecular formula C27H25FN4O3S, MW 504.58 g/mol) for analytical method development and quality control.
The molecular framework of Methyl 6-amino-5-cyano-2-(((3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)thio)methyl)-4-(4-fluorophenyl)-4H-pyran-3-carboxylate (C27H25FN4O3S) is characterized by a steroid 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. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C27H25FN4O3S |
| Molecular Weight | 504.58 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 | F-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |
Related Methyl Standards
- Ethyl 6-amino-5-cyano-2-(((3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)thio)methyl)-4-(4-fluorophenyl)-4H-pyran-3-carboxylate (CAS 354556-46-0)
- 2-Amino-4-[4-[bis(4-fluorophenyl)methyl]-1-piperazinyl]-1-(1,3-dihydro-2H-isoindol-2-yl)-1,4-butaned (CAS 847928-32-9)
- 3-Amino-6-methyl-4-(thiophen-2-yl)-N-(4-(trifluoromethoxy)phenyl)-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carboxamide (CAS 445382-88-7)
- 3-Amino-N-(2,4-dimethylphenyl)-4-methylbenzamide (CAS 6370-19-0)
- 3-Amino-4-(2-chlorophenyl)-N-(4-chlorophenyl)-6-(p-tolyl)thieno[2,3-b]pyridine-2-carboxamide (CAS 332372-56-2)
- 3-Amino-N-(2,3-dichlorophenyl)-4-phenyl-6-(p-tolyl)thieno[2,3-b]pyridine-2-carboxamide (CAS 444153-42-8)
- 4-Amino-1-[3,5-bis-O-(4-chlorobenzoyl)-2-deoxy-D-erythro-pentofuranosyl]-1,3,5-triazin-2(1H)-one (CAS 1193165-26-2)
- 3-Amino-6-(3,4-dimethoxybenzyl)-N-(4-fluorophenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (CAS 939889-21-1)
Recommended Standards
- Ticagrelor Impurity 14 (CAS 1643378-47-5)
- 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(6-isocyanatohexyl)- (CAS 3779-63-3)
- Ticagrelor Impurity 54 (CAS CATO-C4X-109354)
- (4S,4′S)-2,2′-(5,5′-Dimethoxy[1,1′-biphenyl]-2,2′-diyl)bis[4,5-dihydro-4-phenyloxazole] (CAS 944133-17-9)
- 2-(Azepan-1-ylmethyl)-4-fluorobenzenethiol (CAS 1443309-32-7)
- 4,5-Dichloro-2-methoxybenzaldehyde (CAS 883532-73-8)
- 1-(Bromomethyl)-2-(4-methylphenoxy)benzene (CAS 1427460-35-2)
- 2-(1h-Indole-2-carboxamido)hexanoic acid (CAS 1452575-02-8)
- 5-Butylnicotinic acid (CAS 1310361-42-2)
- 2-Ethyl-N-(thiazol-5-ylmethyl)aniline (CAS 1340292-46-7)
- (5-chloropyridazin-3-yl)hydrazine (CAS 2140316-70-5)
- 2,4-Diamino-3-chlorophenol (CAS 13297-01-3)
- (R)-Benzyl (1-aminopropan-2-yl)carbamate hydrochloride (CAS 850033-74-8)
- Semaglutide impurity 269 (CAS CATO-C4X-2226269)
Why CATO?
- ISO 17034 accredited reference material producer (CNAS + ANAB dual accreditation)
- 130,000+ catalog items in stock, COA supplied with every batch
- Worldwide shipping with full export documentation (HS code guidance available)
- Technical support: +86 18665070610 / Nicole.chen@cato-chem.com