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870487-10-8

870487-10-8 Structure

870487-10-8 Structure
IdentificationBack Directory
[Name]

Boc-Val-Cit-PAB-PNP
[CAS]

870487-10-8
[Synonyms]

BOC-Val-cit-pab
Boc-Val-Cit-PAB-PNP
Boc-Val-Cit-PAB-PNB
Boc-Val-Cit-PABC-PNP
L-Ornithinamide, N-[(1,1-dimethylethoxy)carbonyl]-L-valyl-N5-(aminocarbonyl)-N-[4-[[[(4-nitrophenoxy)carbonyl]oxy]methyl]phenyl]-
tert-butyl ((5)-3-methyl-1-(((5)-1-((4-((((4-nitrophenoxy)carbonyl)oxy)methyl)phenyl)amino)-1-oxo-5-ureidopentan-2-yl)amino)-1-oxobutan-2-yl)carbamate
[Molecular Formula]

C30H40N6O10
[MDL Number]

MFCD22417105
[MOL File]

870487-10-8.mol
[Molecular Weight]

644.67
Chemical PropertiesBack Directory
[Boiling point ]

896.0±65.0 °C(Predicted)
[density ]

1.291±0.06 g/cm3(Predicted)
[solubility ]

DMSO : 250 mg/mL (387.80 mM; Need ultrasonic)
[form ]

Solid
[pka]

11.25±0.46(Predicted)
[color ]

White to off-white
[InChIKey]

PJCUTAUEMJZDQD-ZEQRLZLVSA-N
[SMILES]

C(N)(=O)[C@H](CCCNC(N)=O)N(C(=O)[C@H](C(C)C)NC(OC(C)(C)C)=O)C1=CC=C(COC(OC2=CC=C([N+]([O-])=O)C=C2)=O)C=C1
Hazard InformationBack Directory
[Description]

Boc-Val-Cit-PAB-PNB is a cleavable peptide ADC linker. The Val-Cit will specifically be cleaved by Cathepsin B. As this enzyme is only present in the lysosome, the ADC payload will be released only in the cell.PNP can be substituted by amine bearing molecules.
[Uses]

Boc-Val-Cit-PAB-PNP is a cleavable ADC linker used in the synthesis of antibody-drug conjugates (ADCs)[1].
[IC 50]

Protease Cleavable Linker; Cleavable Linker
[References]

[1] Beck A, et al. Strategies and challenges for the next generation of antibody-drug conjugates. Nat Rev Drug Discov. 2017 May;16(5):315-337. DOI:10.1038/nrd.2016.268
Spectrum DetailBack Directory
[Spectrum Detail]

Boc-Val-Cit-PAB-PNP(870487-10-8)1HNMR
Boc-Val-Cit-PAB-PNP(870487-10-8)1HNMR
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