(4S)-4-[({2-[({2-[2-({[({[(1R,8S,9R)-bicyclo[6.1.0]non-4-yn-9-yl]methoxy}carbonyl)amino]sulfonyl}amino)ethoxy]ethoxy}carbonyl)[2-({[(1S)-3-carboxy-1-{[(1S)-1-{[(1S)-1-({4-[({[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.0²,¹⁴.0⁴,¹³.0⁶,¹¹.0²⁰,²⁴]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]carbamoyl}oxy)methyl]phenyl}carbamoyl)ethyl]carbamoyl}-2-methylpropyl]carbamoyl}propyl]carbamoyl}oxy)ethyl]amino]ethoxy}carbonyl)amino]-4-{[(1S)-1-{[(1S)-1-({4-[({[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.0²,¹⁴.0⁴,¹³.0⁶,¹¹.0²⁰,²⁴]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]carbamoyl}oxy)methyl]phenyl}carbamoyl)ethyl]carbamoyl}-2-methylpropyl]carbamoyl}butanoic acid CAS 2765424-49-3

Purity 97%+In StockPharmaceutical Standards
CAS No.2765424-49-3
Molecular FormulaC112H129F2N17O33S
Molecular Weight2311.38 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

(4S)-4-[({2-[({2-[2-({[({[(1R,8S,9R)-bicyclo[6.1.0]non-4-yn-9-yl]methoxy}carbonyl)amino]sulfonyl}amino)ethoxy]ethoxy}carbonyl)[2-({[(1S)-3-carboxy-1-{[(1S)-1-{[(1S)-1-({4-[({[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.0²,¹⁴.0⁴,¹³.0⁶,¹¹.0²⁰,²⁴]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]carbamoyl}oxy)methyl]phenyl}carbamoyl)ethyl]carbamoyl}-2-methylpropyl]carbamoyl}propyl]carbamoyl}oxy)ethyl]amino]ethoxy}carbonyl)amino]-4-{[(1S)-1-{[(1S)-1-({4-[({[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.0²,¹⁴.0⁴,¹³.0⁶,¹¹.0²⁰,²⁴]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]carbamoyl}oxy)methyl]phenyl}carbamoyl)ethyl]carbamoyl}-2-methylpropyl]carbamoyl}butanoic acid CAS 2765424-49-3 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 2311.38 g/mol gives (4S)-4-[({2-[({2-[2-({[({[(1R,8S,9R)-bicyclo[6.1.0]non-4-yn-9-yl]methoxy}carbonyl)amino]sulfonyl}amino)ethoxy]ethoxy}carbonyl)[2-({[(1S)-3-carboxy-1-{[(1S)-1-{[(1S)-1-({4-[({[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.0²,¹⁴.0⁴,¹³.0⁶,¹¹.0²⁰,²⁴]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]carbamoyl}oxy)methyl]phenyl}carbamoyl)ethyl]carbamoyl}-2-methylpropyl]carbamoyl}propyl]carbamoyl}oxy)ethyl]amino]ethoxy}carbonyl)amino]-4-{[(1S)-1-{[(1S)-1-({4-[({[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.0²,¹⁴.0⁴,¹³.0⁶,¹¹.0²⁰,²⁴]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]carbamoyl}oxy)methyl]phenyl}carbamoyl)ethyl]carbamoyl}-2-methylpropyl]carbamoyl}butanoic acid distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

(4S)-4-[({2-[({2-[2-({[({[(1R,8S,9R)-bicyclo[6.1.0]non-4-yn-9-yl]methoxy}carbonyl)amino]sulfonyl}amino)ethoxy]ethoxy}carbonyl)[2-({[(1S)-3-carboxy-1-{[(1S)-1-{[(1S)-1-({4-[({[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.0²,¹⁴.0⁴,¹³.0⁶,¹¹.0²⁰,²⁴]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]carbamoyl}oxy)methyl]phenyl}carbamoyl)ethyl]carbamoyl}-2-methylpropyl]carbamoyl}propyl]carbamoyl}oxy)ethyl]amino]ethoxy}carbonyl)amino]-4-{[(1S)-1-{[(1S)-1-({4-[({[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.0²,¹⁴.0⁴,¹³.0⁶,¹¹.0²⁰,²⁴]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]carbamoyl}oxy)methyl]phenyl}carbamoyl)ethyl]carbamoyl}-2-methylpropyl]carbamoyl}butanoic acid (CAS 2765424-49-3), molecular formula C112H129F2N17O33S and molecular weight 2311.38 g/mol, is a CATO reference standard with documented purity and traceability.

Based on its molecular formula C112H129F2N17O33S, (4S)-4-[({2-[({2-[2-({[({[(1R,8S,9R)-bicyclo[6.1.0]non-4-yn-9-yl]methoxy}carbonyl)amino]sulfonyl}amino)ethoxy]ethoxy}carbonyl)[2-({[(1S)-3-carboxy-1-{[(1S)-1-{[(1S)-1-({4-[({[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.0²,¹⁴.0⁴,¹³.0⁶,¹¹.0²⁰,²⁴]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]carbamoyl}oxy)methyl]phenyl}carbamoyl)ethyl]carbamoyl}-2-methylpropyl]carbamoyl}propyl]carbamoyl}oxy)ethyl]amino]ethoxy}carbonyl)amino]-4-{[(1S)-1-{[(1S)-1-({4-[({[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.0²,¹⁴.0⁴,¹³.0⁶,¹¹.0²⁰,²⁴]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]carbamoyl}oxy)methyl]phenyl}carbamoyl)ethyl]carbamoyl}-2-methylpropyl]carbamoyl}butanoic acid contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 2311.38 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.

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), (4S)-4-[({2-[({2-[2-({[({[(1R,8S,9R)-bicyclo[6.1.0]non-4-yn-9-yl]methoxy}carbonyl)amino]sulfonyl}amino)ethoxy]ethoxy}carbonyl)[2-({[(1S)-3-carboxy-1-{[(1S)-1-{[(1S)-1-({4-[({[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.0²,¹⁴.0⁴,¹³.0⁶,¹¹.0²⁰,²⁴]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]carbamoyl}oxy)methyl]phenyl}carbamoyl)ethyl]carbamoyl}-2-methylpropyl]carbamoyl}propyl]carbamoyl}oxy)ethyl]amino]ethoxy}carbonyl)amino]-4-{[(1S)-1-{[(1S)-1-({4-[({[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.0²,¹⁴.0⁴,¹³.0⁶,¹¹.0²⁰,²⁴]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]carbamoyl}oxy)methyl]phenyl}carbamoyl)ethyl]carbamoyl}-2-methylpropyl]carbamoyl}butanoic acid 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 FormulaC112H129F2N17O33S
Molecular Weight2311.38 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; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)56.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2003
Halogen ContentF-containing
Nitrogen Atoms17
Sulfur Atoms1

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