Methyl 6-amino-5-cyano-2-(((3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)thio)methyl)-4-(3-methoxyphenyl)-4H-pyran-3-carboxylate CAS 445384-08-7
| CAS No. | 445384-08-7 |
| Molecular Formula | C27H26N4O4S |
| Molecular Weight | 502.58 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-(3-methoxyphenyl)-4H-pyran-3-carboxylate is closely related to a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies Methyl 6-amino-5-cyano-2-(((3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)thio)methyl)-4-(3-methoxyphenyl)-4H-pyran-3-carboxylate (CAS 445384-08-7), a certified reference material (molecular formula C27H26N4O4S, MW 502.58 g/mol) for analytical method development and quality control.
Structurally, Methyl 6-amino-5-cyano-2-(((3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)thio)methyl)-4-(3-methoxyphenyl)-4H-pyran-3-carboxylate (C27H26N4O4S) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage. 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 502.58 g/mol, it falls into the moderately-high-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C27H26N4O4S |
| Molecular Weight | 502.58 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 |
| Degree of Unsaturation (DBE) | 17.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |
Related Methyl Standards
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- 1-[4-[(2-Amino-4-pyrimidinyl)oxy]phenyl]-3-[4-[(4-methyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl]urea (CAS 853299-07-7)
Recommended Standards
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- Ertapenem Impurity 18 (CAS CATO-C4X-163318)
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- (2,2-Dichloroethyl)(methyl)amine (CAS 16521-25-8)
- 4-(Bromomethyl)-2-(trifluoromethyl)quinoline (CAS 1185292-61-8)
- 4-(2-Hydroxyethyl)-5-methyl-1H-pyrazol-3-ol (CAS 65287-96-9)
- 1,4-diphenyl-1H-pyrazol-5-amine (CAS 108719-40-0)
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- Tris(2-hydroxyethyl)methylammonium methylsulfate (CAS 29463-06-7)
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