6-(7-Nitro-benzo[2,1,3]oxadiazol-4-ylamino)-hexanoyl-Arg-Pro-Lys-Pro-Leu-Ala-Nva-Trp-Lys((7-dimethylaminocoumarin-4-yl)-acetyl)-NH2 CAS 945414-97-1

Purity 97%+In StockPharmaceutical Standards
CAS No.945414-97-1
Molecular FormulaC78H111N21O16
Molecular Weight1598.87 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

6-(7-Nitro-benzo[2,1,3]oxadiazol-4-ylamino)-hexanoyl-Arg-Pro-Lys-Pro-Leu-Ala-Nva-Trp-Lys((7-dimethylaminocoumarin-4-yl)-acetyl)-NH2 CAS 945414-97-1 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 1598.87 g/mol gives 6-(7-Nitro-benzo[2,1,3]oxadiazol-4-ylamino)-hexanoyl-Arg-Pro-Lys-Pro-Leu-Ala-Nva-Trp-Lys((7-dimethylaminocoumarin-4-yl)-acetyl)-NH2 distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

6-(7-Nitro-benzo[2,1,3]oxadiazol-4-ylamino)-hexanoyl-Arg-Pro-Lys-Pro-Leu-Ala-Nva-Trp-Lys((7-dimethylaminocoumarin-4-yl)-acetyl)-NH2 (CAS 945414-97-1), molecular formula C78H111N21O16 and molecular weight 1598.87 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, 6-(7-Nitro-benzo[2,1,3]oxadiazol-4-ylamino)-hexanoyl-Arg-Pro-Lys-Pro-Leu-Ala-Nva-Trp-Lys((7-dimethylaminocoumarin-4-yl)-acetyl)-NH2 (C78H111N21O16) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 34.0, corresponding to approximately 34 ring(s) or double-bond equivalent(s). With a molecular weight of 1598.87 g/mol, it falls into the high-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.

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.

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 FormulaC78H111N21O16
Molecular Weight1598.87 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)34.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Nitrogen Atoms21

Related Nitro Standards

Recommended Standards

Why CATO?