5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-[2-[2-[3-[[3-(2-azatricyclo[10.4.0.0⁴⁹]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxo-propyl]amino]-3-(4,4-dimethyl-2,6-dioxo-cyclohexylidene)propoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide CAS 1951424-94-4

Purity 97%+In StockPharmaceutical Standards
CAS No.1951424-94-4
Molecular FormulaC47H61N5O9S
Molecular Weight872.08 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-[2-[2-[3-[[3-(2-azatricyclo[10.4.0.0⁴⁹]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxo-propyl]amino]-3-(4,4-dimethyl-2,6-dioxo-cyclohexylidene)propoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide CAS 1951424-94-4 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 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-[2-[2-[3-[[3-(2-azatricyclo[10.4.0.0⁴⁹]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxo-propyl]amino]-3-(4,4-dimethyl-2,6-dioxo-cyclohexylidene)propoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide.

5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-[2-[2-[3-[[3-(2-azatricyclo[10.4.0.0⁴⁹]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxo-propyl]amino]-3-(4,4-dimethyl-2,6-dioxo-cyclohexylidene)propoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide (CAS 1951424-94-4), molecular formula C47H61N5O9S and molecular weight 872.08 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-[2-[2-[3-[[3-(2-azatricyclo[10.4.0.0⁴⁹]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxo-propyl]amino]-3-(4,4-dimethyl-2,6-dioxo-cyclohexylidene)propoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide (C47H61N5O9S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 20.0, corresponding to approximately 20 ring(s) or double-bond equivalent(s). With a molecular weight of 872.08 g/mol, it falls into the high-molecular-weight range. 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).

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), 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-[2-[2-[3-[[3-(2-azatricyclo[10.4.0.0⁴⁹]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxo-propyl]amino]-3-(4,4-dimethyl-2,6-dioxo-cyclohexylidene)propoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide 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 FormulaC47H61N5O9S
Molecular Weight872.08 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)20.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1996
Nitrogen Atoms5
Sulfur Atoms1

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