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2126805-05-6

2126805-05-6 Structure

2126805-05-6 Structure
IdentificationBack Directory
[Name]

L-Alaninamide, N-[10,10-dioxido-1,12-dioxo-14-[(1α,8α,9β)-bicyclo[6.1.0]non-4-yn-9-yl]-3,6,13-trioxa-10-thia-9,11-diazatetradec-1-yl]-L-valyl-N-[4-[[[[(11S,11aS)-8-[[5-[[(11aS)-5,11a-dihydro-7-methoxy-2-methyl-5-oxo-1H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]oxy]pentyl]oxy]-11,11a-dihydro-11-hydroxy-7-methoxy-2-methyl-5-oxo-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl]carbonyl]oxy]methyl]phenyl]-
[CAS]

2126805-05-6
[Synonyms]

L-Alaninamide, N-[10,10-dioxido-1,12-dioxo-14-[(1α,8α,9β)-bicyclo[6.1.0]non-4-yn-9-yl]-3,6,13-trioxa-10-thia-9,11-diazatetradec-1-yl]-L-valyl-N-[4-[[[[(11S,11aS)-8-[[5-[[(11aS)-5,11a-dihydro-7-methoxy-2-methyl-5-oxo-1H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]oxy]pentyl]oxy]-11,11a-dihydro-11-hydroxy-7...
L-Alaninamide, N-[10,10-dioxido-1,12-dioxo-14-[(1α,8α,9β)-bicyclo[6.1.0]non-4-yn-9-yl]-3,6,13-trioxa-10-thia-9,11-diazatetradec-1-yl]-L-valyl-N-[4-[[[[(11S,11aS)-8-[[5-[[(11aS)-5,11a-dihydro-7-methoxy-2-methyl-5-oxo-1H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]oxy]pentyl]oxy]-11,11a-dihydro-11-hydroxy-7-methoxy-2-methyl-5-oxo-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl]carbonyl]oxy]methyl]phenyl]-
[Molecular Formula]

C66H83N9O18S
[MOL File]

2126805-05-6.mol
[Molecular Weight]

1322.48
Chemical PropertiesBack Directory
[density ]

1.41±0.1 g/cm3(Predicted)
[pka]

4.48±0.40(Predicted)
Hazard InformationBack Directory
[Uses]

BCN-HS-PEG2-VA-PABC-SG3199 (Compound 4) is a pyrrolobenzodiazepine that can be used as a agent linker of antibody-drug conjugates (ADC)[1]. BCN-HS-PEG2-VA-PABC-SG3199 is a click chemistry reagent, it contains a BCN group that can undergo strain-promoted alkyne-azide cycloaddition (SPAAC) with molecules containing Azide groups.
[References]

[1] Patricius Hendrikus Cornelis VAN BERKEL. Pyrrolobenzodiazepine-antibody conjugates. Patent WO2018146199A1.
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