2-(2-(Methylthio)pyrimidin-4-yl)-1-(1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl)ethan-1-one CAS 1111638-52-8
| CAS No. | 1111638-52-8 |
| Molecular Formula | C20H16N4O3S2 |
| Molecular Weight | 424.50 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 424.50 g/mol gives 2-(2-(Methylthio)pyrimidin-4-yl)-1-(1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl)ethan-1-one distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
2-(2-(Methylthio)pyrimidin-4-yl)-1-(1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl)ethan-1-one (CAS 1111638-52-8), molecular formula C20H16N4O3S2 and molecular weight 424.50 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, 2-(2-(Methylthio)pyrimidin-4-yl)-1-(1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl)ethan-1-one is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 424.50 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
As a certified reference material (CRM), 2-(2-(Methylthio)pyrimidin-4-yl)-1-(1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl)ethan-1-one 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 | C20H16N4O3S2 |
| Molecular Weight | 424.50 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) | 15.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1989 |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 2 |
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- 4-(methylthio)-6-(tributylstannyl)pyrimidine (CAS 1002719-56-3)
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Recommended Standards
- FMOC-Ala-Leu-OH (CAS 177609-08-4)
- 3-(5-(4-Methylpiperazin-1-yl)-1H,1'H-[2,5'-bibenzo[d]imidazol]-2'-yl)phenol (CAS 132869-83-1)
- Fmoc-β-Ala-Ile-OH (CAS 2171270-66-7)
- 3-Ethyl-2-((3-(trifluoromethyl)benzyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one (CAS 578722-36-8)
- 85017-80-7 Lithium iodide hydrate, 99.995% (metals basis) MFCD00149769 (CAS 85017-80-7)
- 3-Ethyl-5-(2-(1-ethylpyrrolidin-2-ylidene)ethylidene)-2-thioxooxazolidin-4-one (CAS 64617-11-4)
- 2-(1-Cyanoethyl)benzonitrile (CAS 1071119-13-5)
- 3,6-Diiodo-9-(oxiran-2-ylmethyl)-9H-carbazole (CAS 139651-59-5)
- N-(3-(2,4-Dimethylpentan-2-yl)isoxazol-5-yl)-2,6-dimethoxybenzamide (CAS 82558-68-7)
- (2-(Ethylthio)phenyl)(4-(5-(furan-2-yl)-1,3,4-thiadiazol-2-yl)piperidin-1-yl)methanone (CAS 1226457-57-3)
- N-Boc-3,4-Dihydro-2(1H)-Quinolinone (CAS 194979-77-6)
- 4-(4-Chlorophenyl)-4-oxo-2-{[(thiophen-2-yl)methyl]amino}butanoic acid (CAS 1025762-87-1)
- 3-(Piperidin-4-yl)-2-(trifluoromethyl)-3H-imidazo[4,5-b]pyridine (CAS 951544-48-2)
- Peptide Impurity 34 (CAS 21282-09-7)
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