(2S)-N-[(1S)-2-[4-[(6aS)-3-[3-[[(6aS)-2-methoxy-8-(4-methoxyphenyl)-11-oxo-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]propoxy]-2-methoxy-11-oxo-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl]anilino]-1-methyl-2-oxo-ethyl]-2-[3-[2-[2-[2-[2-[[4-(2-azatricyclo[10.4.0.0⁴⁹]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxo-butanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methyl-butanamide CAS 2241644-09-5

Purity 97%+In StockPharmaceutical Standards
CAS No.2241644-09-5
Molecular FormulaC80H87N9O16
Molecular Weight1430.60 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

(2S)-N-[(1S)-2-[4-[(6aS)-3-[3-[[(6aS)-2-methoxy-8-(4-methoxyphenyl)-11-oxo-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]propoxy]-2-methoxy-11-oxo-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl]anilino]-1-methyl-2-oxo-ethyl]-2-[3-[2-[2-[2-[2-[[4-(2-azatricyclo[10.4.0.0⁴⁹]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxo-butanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methyl-butanamide CAS 2241644-09-5 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.

(2S)-N-[(1S)-2-[4-[(6aS)-3-[3-[[(6aS)-2-methoxy-8-(4-methoxyphenyl)-11-oxo-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]propoxy]-2-methoxy-11-oxo-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl]anilino]-1-methyl-2-oxo-ethyl]-2-[3-[2-[2-[2-[2-[[4-(2-azatricyclo[10.4.0.0⁴⁹]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxo-butanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methyl-butanamide (CAS 2241644-09-5) is a high-purity analytical reference standard with the molecular formula C80H87N9O16 and a molecular weight of 1430.60 g/mol.

Based on its molecular formula C80H87N9O16, (2S)-N-[(1S)-2-[4-[(6aS)-3-[3-[[(6aS)-2-methoxy-8-(4-methoxyphenyl)-11-oxo-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]propoxy]-2-methoxy-11-oxo-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl]anilino]-1-methyl-2-oxo-ethyl]-2-[3-[2-[2-[2-[2-[[4-(2-azatricyclo[10.4.0.0⁴⁹]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxo-butanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methyl-butanamide contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 1430.60 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).

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 FormulaC80H87N9O16
Molecular Weight1430.60 g/mol
Purity97%+
StorageStore in a cool place (≤25°C), protect from light, keep sealed and dry
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening
Degree of Unsaturation (DBE)42.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1998
Nitrogen Atoms9

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