2-(Ethyl(3-((4-((5-(2-((3-fluorophenyl)amino)-2-oxoethyl)-1H-pyrazol-3-yl)amino)quinazolin-7-yl)oxy)propyl)amino)ethyl dihydrogen phosphate (2Z)-2-butenedioate CAS 957104-91-5

Purity 97%+In StockPharmaceutical Standards
CAS No.957104-91-5
Molecular FormulaC26H31FN7O6P
Molecular WeightN/A
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-(Ethyl(3-((4-((5-(2-((3-fluorophenyl)amino)-2-oxoethyl)-1H-pyrazol-3-yl)amino)quinazolin-7-yl)oxy)propyl)amino)ethyl dihydrogen phosphate (2Z)-2-butenedioate CAS 957104-91-5 chemical structure

Description

2-(Ethyl(3-((4-((5-(2-((3-fluorophenyl)amino)-2-oxoethyl)-1H-pyrazol-3-yl)amino)quinazolin-7-yl)oxy)propyl)amino)ethyl dihydrogen phosphate (2Z)-2-butenedioate (CAS 957104-91-5), molecular formula C26H31FN7O6PC4H4O4 and molecular weight 703.62 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, 2-(Ethyl(3-((4-((5-(2-((3-fluorophenyl)amino)-2-oxoethyl)-1H-pyrazol-3-yl)amino)quinazolin-7-yl)oxy)propyl)amino)ethyl dihydrogen phosphate (2Z)-2-butenedioate (C26H31FN7O6PC4H4O4) contains a nitrogen-containing heterocyclic scaffold, an amide group, a phosphate ester group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 16.5, corresponding to approximately 16 ring(s) or double-bond equivalent(s). With a molecular weight of 703.62 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.

As a certified reference material (CRM), 2-(Ethyl(3-((4-((5-(2-((3-fluorophenyl)amino)-2-oxoethyl)-1H-pyrazol-3-yl)amino)quinazolin-7-yl)oxy)propyl)amino)ethyl dihydrogen phosphate (2Z)-2-butenedioate 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 FormulaC26H31FN7O6P C4H4O4
Molecular Weight703.62 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)16.5
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Halogen ContentF-containing
Nitrogen Atoms7

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