Methyl 6-amino-5-cyano-2-(((3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)thio)methyl)-4-(2-fluorophenyl)-4H-pyran-3-carboxylate CAS 445384-79-2
| CAS No. | 445384-79-2 |
| Molecular Formula | C26H23FN4O3S |
| Molecular Weight | 490.55 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of Methyl 6-amino-5-cyano-2-(((3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)thio)methyl)-4-(2-fluorophenyl)-4H-pyran-3-carboxylate is closely related to a steroid 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.
Methyl 6-amino-5-cyano-2-(((3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)thio)methyl)-4-(2-fluorophenyl)-4H-pyran-3-carboxylate (CAS 445384-79-2), molecular formula C26H23FN4O3S and molecular weight 490.55 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution, Methyl 6-amino-5-cyano-2-(((3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)thio)methyl)-4-(2-fluorophenyl)-4H-pyran-3-carboxylate is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 490.55 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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 | C26H23FN4O3S |
| Molecular Weight | 490.55 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
- Methyl 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 445384-74-7)
- Methyl 6-amino-5-cyano-2-[({3-cyano-5H,6H,7H,8H,9H-cyclohepta[b]pyridin-2-yl}sulfanyl)methyl]-4-(3-fluorophenyl)-4H-pyran-3-carboxylate (CAS 445384-81-6)
- 3-Amino-N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide (CAS 627053-26-3)
- 5-Amino-2-{4-[4-(5-amino-1,3-dioxo-2,3-dihydro-1h-isoindol-2-yl)phenoxy]phenyl}-2,3-dihydro-1h-isoindole-1,3-dione (CAS 24200-78-0)
- 2-(4-(2-Amino-3-cyano-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl)-2-methoxyphenoxy)-N-(3-nitrophenyl)acetamide (CAS 333778-09-9)
- 3-Amino-N-(2-chlorophenyl)-4-(4-chlorophenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide (CAS 332385-54-3)
- 3-Amino-N-(3-chlorophenyl)-6-(4-chlorophenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide (CAS 334503-98-9)
- 3-Amino-6-(3,4-dimethoxyphenyl)-N-(4-fluorophenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (CAS 487037-03-6)
Recommended Standards
- Fmoc-Dap(Dde)-OH (CAS 247127-51-1)
- di-tert-butyl((2S,3S)-3-(tert-butyl)-4-(2,6-dimethoxyphenyl)-2,3-dihydrobenzo[d][1,3]oxaphosphol-2-yl)phosphineoxide (CAS 2374143-28-7)
- Di-tert-butyl((2R,3R)-3-(tert-butyl)-4-(2,6-dimethoxyphenyl)-2,3-dihydrobenzo[d][1,3]oxaphosphol-2-yl)phosphine oxide (CAS 2545293-91-0)
- Azilsartan Impurity 120 (CAS CATO-C4X-1096120)
- RMC6236 Intermediate 32 (CAS CATO-CIM-103920)
- Chlorodimethyl(3-phenoxyphenyl)silane (CAS 41318-68-7)
- 2-Chloro-6,7-dimethoxy-N-methylquinazolin-4-amine (CAS 80841-29-8)
- 2-[(2,2,6,6-Tetramethyl-1-piperidyl)methyl]phenylboronic Acid (contains varying amounts of Anhydride) (CAS 815581-79-4)
- Hydrazine cyanurate (CAS 18836-29-8)
- 1-(2-Chloro-4-fluorobenzyl)-1H-pyrazole-4-carboxylic acid (CAS 1154882-21-9)
- 2,3,6-Trimethoxy Benzaldehyde (CAS 5556-86-5)
- (3-(2,6-Dichlorophenyl)-5-methylisoxazol-4-yl)(4-(pyrimidin-2-yl)piperazin-1-yl)methanone (CAS 546062-79-7)
- Pranoprofen Impurity 27 (CAS CATO-C4X-181127)
- D-Thr5-Tirzepatide (CAS CATO-CPTD788926)
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