Methyl 2-((3-(2-(4-methoxybenzamido)ethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)butanoate CAS 872996-34-4
| CAS No. | 872996-34-4 |
| Molecular Formula | C20H23N5O4S |
| Molecular Weight | 429.49 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of Methyl 2-((3-(2-(4-methoxybenzamido)ethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)butanoate is closely related to a flavonoid 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 2-((3-(2-(4-methoxybenzamido)ethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)butanoate (CAS 872996-34-4), a certified reference material (molecular formula C20H23N5O4S, MW 429.49 g/mol) for analytical method development and quality control.
Structurally, Methyl 2-((3-(2-(4-methoxybenzamido)ethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)butanoate (C20H23N5O4S) contains a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 12.0, corresponding to approximately 12 ring(s) or double-bond equivalent(s). With a molecular weight of 429.49 g/mol, it falls into the moderately-high-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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), Methyl 2-((3-(2-(4-methoxybenzamido)ethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)butanoate 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 | C20H23N5O4S |
| Molecular Weight | 429.49 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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Nitrogen Atoms | 5 |
| Sulfur Atoms | 1 |
Related Methyl Standards
- Methyl 2-(3-methoxybenzamido)-4-methyl-5-(piperidine-1-carbonyl)thiophene-3-carboxylate (CAS 335407-96-0)
- Methyl 4-(4-(4-methoxybenzamido)-3-nitrophenyl)-3-methyl-4-oxobutanoate (CAS 74149-72-7)
- Ethyl 3-(4-methoxybenzamido)-2-oxo-6-phenyl-2H-pyran-5-carboxylate (CAS 338404-95-8)
- 2-(4-(2-Methoxybenzamido)benzamido)benzoic acid (CAS 693241-54-2)
- Ethyl 2-(2-(4-methoxybenzamido)thiazol-4-yl)benzoate (CAS 339010-11-6)
- 2-(2-(4-Methoxybenzamido)acetamido)ethyl 2-fluorobenzoate (CAS 338396-52-4)
- 3-(4-Methoxybenzamido)cyclohexyl phenylcarbamate (CAS 1351595-20-4)
- Ethyl 2-(2-methoxybenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 300815-09-2)
Recommended Standards
- 5-Chloro-3-(3,5-dibromo-4-hydroxybenzylidene)indolin-2-one (CAS 220904-99-4)
- N-(3-acetylphenyl)-2-((4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 332909-83-8)
- 4-(3-(2-(Methylsulfonamido)phenyl)-5-(o-tolyl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid (CAS 923227-45-6)
- N-(4-acetylphenyl)-2-((4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 332385-36-1)
- 3-Iodo-2-(trifluoromethyl)benzaldehyde (CAS 1261649-06-2)
- 1-(3,3,5-Trimethylcyclohexyl)ethan-1-amine (CAS 1558813-51-6)
- 3-(Cyclopropyl(methyl)amino)propanenitrile (CAS 532407-01-5)
- Ethyl 2-cyano-3-[(3,5-dimethoxyphenyl)amino]prop-2-enoate (CAS 712307-63-6)
- 3-(tert-Butyl)-1-(6-methylpyridin-3-yl)-1H-pyrazol-5-amine (CAS 285984-51-2)
- Tributyl O-Acetylcitrate (CAS 77-90-7)
- 2-(3-Nitropyridin-2-yl)acetonitrile (CAS 123846-65-1)
- N-(9-deoxy-epi-cinchonin-9-yl)picolinamide (CAS 1414851-55-0)
- N-(2-Acetamido)-2-aminoethanesulfonic Acid (CAS 7365-82-4)
- (D-Tyr1,N-Me-Phe3)-Neuropeptide FF (H-4752.0001) (CAS 145274-93-7)
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