2-((1R,4s)-5'-(4-amino-7,7-dimethyl-2-(trifluoromethyl)-7H-pyrimido[4,5-b][1,4]oxazin-6-yl)-2',3'-dihydrospiro[cyclohexane-1,1'-inden]-4-yl)acetic acid CAS 701232-94-2
| CAS No. | 701232-94-2 |
| Molecular Formula | C25H27F3N4O3 |
| Molecular Weight | 488.50 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Owing to a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution, 2-((1R,4s)-5'-(4-amino-7,7-dimethyl-2-(trifluoromethyl)-7H-pyrimido[4,5-b][1,4]oxazin-6-yl)-2',3'-dihydrospiro[cyclohexane-1,1'-inden]-4-yl)acetic acid is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 488.50 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
2-((1R,4s)-5'-(4-amino-7,7-dimethyl-2-(trifluoromethyl)-7H-pyrimido[4,5-b][1,4]oxazin-6-yl)-2',3'-dihydrospiro[cyclohexane-1,1'-inden]-4-yl)acetic acid (CAS 701232-94-2), molecular formula C25H27F3N4O3 and molecular weight 488.50 g/mol, is a CATO reference standard with documented purity and traceability.
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 | C25H27F3N4O3 |
| Molecular Weight | 488.50 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| 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) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 4 |
Recommended Standards
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- 3-((3-Chloro-4-methylphenyl)amino)azepan-2-one (CAS 1104918-37-7)
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- methyl(oxolan-3-ylmethyl)amine (CAS 7179-93-3)
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- Ethyl 2,3-dihydroxybenzoate (CAS 3943-73-5)
- 4-(2-Hydroxyethyl)-1-((4-iodophenyl)sulfonyl)-5-methyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one (CAS 866040-22-4)
- 4-Amino-5-(aminomethyl)pyrimidine-2-thiol (CAS 766545-82-8)
- Roxadustat Impurity 149 (CAS CATO-C4X-2213149)
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