(S)-3-(4-(2-amino-6-((R)-1-(4-chloro-2-(3-methyl-1H-pyrazol-1-yl)phenyl)-2,2,2-trifluoroethoxy)pyrimidin-4-yl)phenyl)-2-((tert-butoxycarbonyl)amino)propanoic acid CAS 1033805-27-4
| CAS No. | 1033805-27-4 |
| Molecular Formula | C30H30ClF3N6O5 |
| Molecular Weight | 647.04 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
(S)-3-(4-(2-amino-6-((R)-1-(4-chloro-2-(3-methyl-1H-pyrazol-1-yl)phenyl)-2,2,2-trifluoroethoxy)pyrimidin-4-yl)phenyl)-2-((tert-butoxycarbonyl)amino)propanoic acid (CAS 1033805-27-4), molecular formula C30H30ClF3N6O5 and molecular weight 647.04 g/mol, is a CATO reference standard with documented purity and traceability.
(S)-3-(4-(2-amino-6-((R)-1-(4-chloro-2-(3-methyl-1H-pyrazol-1-yl)phenyl)-2,2,2-trifluoroethoxy)pyrimidin-4-yl)phenyl)-2-((tert-butoxycarbonyl)amino)propanoic acid (C30H30ClF3N6O5) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C30H30ClF3N6O5 |
| Molecular Weight | 647.04 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.) | 1988 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 6 |
Related S Standards
- 4-Amino-3-(1-naphthylmethyl)-1H-pyrazolo[3,4-d]pyrimidine-1-(β-D-ribofuranosyl-5-triphosphate) (CAS 476371-81-0)
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- Bis [2-[(2-Amino-1,6-dihydro-6-O-benzyl-9H-purin-9yl)methoxy]ethanol] (CAS 1346599-81-2)
- Ethyl 6-amino-2-(((6-(tert-butyl)-3-cyano-4-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinolin-2-yl)thio)methyl)-5-cyano-4-(thiophen-2-yl)-4H-pyran-3-carboxylate (CAS 497230-56-5)
- 6-Amino-1',2-bis[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2,3,4,7-tetrahydro-1H-spiro[isoquinoline-8,4'-piperidine]-5,7,7-tricarbonitrile (CAS 400085-31-6)
- 4-Amino-1-((2R,4S,5R)-5-((bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-4-hydroxytetrahydrofuran-2-yl)-5-iodopyrimidin-2(1H)-one (CAS 845620-48-6)
- 2-((3-((4-Amino-6-fluoro-1,3,5-triazin-2-yl)oxy)phenyl)amino)-6-((3-ethoxypropyl)amino)-4-methyl-5-((4-nitro-2-(trifluoromethyl)phenyl)diazenyl)nicotinonitrile (CAS 85495-56-3)
- 2-Amino-3-Bromo-7-Fluoro-9H-Fluoren-9-Ol (CAS 1960-60-7)
Recommended Standards
- 5-Allyl-6-chloro-2-methylpyrimidin-4-amine (CAS 85826-34-2)
- Cholesteryl Linolenate (CAS 2545-22-4)
- (2S,4R,5S)-Lopinavir (CAS 1798014-18-2)
- Palladium(2+), [methylenebis[diphenylphosphine]-P,P']bis[sulfinylbis[methane]-S]-, diiodide (CAS 113132-19-7)
- m-PEG5-SH (CAS 524030-00-0)
- tert-Butyl 3-hydroxy-3-[2-(trifluoromethoxy)phenyl]azetidine-1-carboxylate (CAS 1609671-84-2)
- 2-(5-Bromo-2-oxopyridin-1(2H)-yl)acetic acid (CAS 872277-46-8)
- 2-Bromo-5-morpholinobenzonitrile (CAS 1129540-64-2)
- 2-(((Thiophen-2-ylmethyl)amino)methyl)thieno[3,2-d]pyrimidin-4(3h)-one (CAS 849125-86-6)
- Ethyl [(tert-Butyldimethylsilyl)oxy]acetate (CAS 67226-78-2)
- Methyl 5,5-dimethylpiperidine-3-carboxylate (CAS 1782530-55-5)
- 2-(Methylamino)-1-phenyl-1H-imidazol-4(5H)-one (CAS 42032-56-4)
- 338772-57-9 KS-00001UIY N~1~-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N~2~-(3-nitro-2-pyridinyl)-1,2-ethanediamine (CAS 338772-57-9)
- Semaglutide Impurity 192 (CAS CATO-C4X-2226192)
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