4-((2S,3S)-3-((S)-2-((tert-Butoxycarbonyl)(methyl)amino)propanamido)-8-cyano-5-((2-methoxynaphthalen-1-yl)methyl)-2-methyl-4-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepine-1-carbonyl)benzoic acid CAS 2158322-19-9

Purity 97%+In StockPharmaceutical Standards
CAS No.2158322-19-9
Molecular FormulaC40H41N5O8
Molecular Weight719.78 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

4-((2S,3S)-3-((S)-2-((tert-Butoxycarbonyl)(methyl)amino)propanamido)-8-cyano-5-((2-methoxynaphthalen-1-yl)methyl)-2-methyl-4-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepine-1-carbonyl)benzoic acid CAS 2158322-19-9 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 4-((2S,3S)-3-((S)-2-((tert-Butoxycarbonyl)(methyl)amino)propanamido)-8-cyano-5-((2-methoxynaphthalen-1-yl)methyl)-2-methyl-4-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepine-1-carbonyl)benzoic acid.

4-((2S,3S)-3-((S)-2-((tert-Butoxycarbonyl)(methyl)amino)propanamido)-8-cyano-5-((2-methoxynaphthalen-1-yl)methyl)-2-methyl-4-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepine-1-carbonyl)benzoic acid (CAS 2158322-19-9) is a high-purity analytical reference standard with the molecular formula C40H41N5O8 and a molecular weight of 719.78 g/mol.

Owing to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, 4-((2S,3S)-3-((S)-2-((tert-Butoxycarbonyl)(methyl)amino)propanamido)-8-cyano-5-((2-methoxynaphthalen-1-yl)methyl)-2-methyl-4-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepine-1-carbonyl)benzoic acid is typically pale yellow to yellow amorphous powder. Its solid-state physicochemical attributes — including a molecular weight of 719.78 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.

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 FormulaC40H41N5O8
Molecular Weight719.78 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)23.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1997
Nitrogen Atoms5

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