1-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl](methyl)amino}-5-[(2E)-3-[(4-chlorophenyl)amino]prop-2-enoyl]-3-[(4-fluorophenyl)methyl]-1,2,3,4-tetrahydropyrimidine-2,4-dione CAS 338399-60-3
| CAS No. | 338399-60-3 |
| Molecular Formula | C27H19Cl2F4N5O3 |
| Molecular Weight | 608.37 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 1-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl](methyl)amino}-5-[(2E)-3-[(4-chlorophenyl)amino]prop-2-enoyl]-3-[(4-fluorophenyl)methyl]-1,2,3,4-tetrahydropyrimidine-2,4-dione.
CATO supplies 1-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl](methyl)amino}-5-[(2E)-3-[(4-chlorophenyl)amino]prop-2-enoyl]-3-[(4-fluorophenyl)methyl]-1,2,3,4-tetrahydropyrimidine-2,4-dione (CAS 338399-60-3), a certified reference material (molecular formula C27H19Cl2F4N5O3, MW 608.37 g/mol) for analytical method development and quality control.
Owing to a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution, 1-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl](methyl)amino}-5-[(2E)-3-[(4-chlorophenyl)amino]prop-2-enoyl]-3-[(4-fluorophenyl)methyl]-1,2,3,4-tetrahydropyrimidine-2,4-dione is typically pale yellow to yellow amorphous powder. Its solid-state physicochemical attributes — including a molecular weight of 608.37 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.
As a certified reference material (CRM), 1-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl](methyl)amino}-5-[(2E)-3-[(4-chlorophenyl)amino]prop-2-enoyl]-3-[(4-fluorophenyl)methyl]-1,2,3,4-tetrahydropyrimidine-2,4-dione meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C27H19Cl2F4N5O3 |
| Molecular Weight | 608.37 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) | 18.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 5 |
Related chloro Standards
- 1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-4-(2-{3-[(1Z)-{2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]hydrazin-1-ylidene}methyl]phenoxy}ethyl)piperazine (CAS 338409-21-5)
- 5-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-3-[1-(2,4-dichlorophenyl)-3-methyl-5-oxo-1,2,4-triazolidin-3-yl]-3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2]oxazole-4,6-dione (CAS 317822-54-1)
- N'-{1-[5-chloro-1-(2,4-dichlorophenyl)-6-oxo-1,6-dihydropyridazin-4-yl]piperidin-4-ylidene}-1-(6-chloropyridazin-3-yl)piperidine-4-carbohydrazide (CAS 338413-82-4)
- 4-Chloro-2-(m-tolyl)quinoline-6-sulfonyl fluoride (CAS 31241-75-5)
- 1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-4-[(5-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl}thiophen-2-yl)sulfonyl]piperazine (CAS 303150-45-0)
- 1-[2-Chloro-5-(trifluoromethyl)phenyl]-3-{1-[2-(2-methylphenyl)-2-oxoethyl]-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl}urea (CAS 1796898-58-2)
- 2-((4-Chloro-N-(2,4-dichloro-5-(2-methoxyethoxy)phenyl)phenyl)sulfonamido)-N-(3-(trifluoromethyl)phenyl)acetamide (CAS 338967-70-7)
- 4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}-2-(phenylsulfonyl)phenyl 4-chlorobenzenesulfonate (CAS 338407-47-9)
Recommended Standards
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- Bis(4-(4-bromophenyl)-5-(propylthio)-4H-1,2,4-triazol-3-yl)methane (CAS 62575-59-1)
- Minodronic Impurity 8 (CAS 2303523-19-3)
- BDY TMR-X, SE (CAS 217190-15-3)
- Z-Leu-Arg-AMC (CAS 156192-32-4)
- 1,3-Bis(tosyloxy)-2,2-dimethylpropane (CAS 22308-12-9)
- C26:0 Lyso PC (CAS 1213783-80-2)
- 1,4-Dicaffeoylquinic acid (CAS 1182-34-9)
- 1-(4-Bromophenethyl)piperazine (CAS 142962-89-8)
- 1-(4-Chloro-3-ethylphenyl)butan-1-ol (CAS 1378867-32-3)
- Ethyl 2-methyl-2-(1,2,3,4-tetrahydroquinolin-6-yl)propanoate (CAS 2387596-19-0)
- (4-(3-Fluoropropoxy)phenyl)boronic acid (CAS 958453-57-1)
- 3-Iodo-4-methyl-1H-pyrrolo[2,3-b]pyridin-5-ol (CAS 1190322-67-8)
- [D-His1]-Semaglutide (CAS CATO-C4X-2226127)
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