2-((2-(6,7-Dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl)thio)-6-(2,5-dimethoxyphenyl)-4-(trifluoromethyl)nicotinonitrile CAS 939893-60-4
| CAS No. | 939893-60-4 |
| Molecular Formula | C28H26F3N3O5S |
| Molecular Weight | 573.58 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
2-((2-(6,7-Dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl)thio)-6-(2,5-dimethoxyphenyl)-4-(trifluoromethyl)nicotinonitrile (CAS 939893-60-4), molecular formula C28H26F3N3O5S and molecular weight 573.58 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 2-((2-(6,7-Dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl)thio)-6-(2,5-dimethoxyphenyl)-4-(trifluoromethyl)nicotinonitrile (C28H26F3N3O5S) 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. 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).
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 | C28H26F3N3O5S |
| Molecular Weight | 573.58 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) | 16.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Related Dimethoxy Standards
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- 6,7-Dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolinehydrochloride (CAS 883-87-4)
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Recommended Standards
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- (2S,5S)-1-(Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)-2,5-bis(4-fluorophenyl)pyrrolidine (CAS 2414484-37-8)
- Argatroban Impurity 92 (CAS CATO-C4X-100792)
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- Zirconyl nitrate solution (CAS 13826-66-9)
- 5,5-Dimethylpyrrolidine-3-carboxylic acid (CAS 1501289-97-9)
- ((3,3-Difluorocyclobutoxy)methyl)benzene (CAS 637031-86-8)
- 4-Chloro-2-methylbenzoyl fluoride (CAS 75870-97-2)
- Paederoside (CAS 20547-45-9)
- 1-(2,4-Dichlorophenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-one (CAS 56944-69-5)
- N'-[(1E)-(2-Fluorophenyl)methylidene]-2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carbohydrazide (CAS 861207-94-5)
- 1-(Thiophen-2-ylsulfonyl)piperidin-3-amine (CAS 934107-83-2)
- Hexapeptide-11 (CAS 100684-36-4)
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