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870487-09-5

870487-09-5 Structure

870487-09-5 Structure
IdentificationBack Directory
[Name]

Boc-Val-Cit-PABA
[CAS]

870487-09-5
[Synonyms]

Boc-Val-Cit-PABA
Boc-Val-Cit-PAB-OH
Boc-Gly-Gly-Phe-Gly
(S)-2-[(S)-2-(Boc-amino)-3-methylbutanamido]-N-[4-(hydroxymethyl)phenyl]-5-ureidopentanamide
N-[(1,1-Dimethylethoxy)carbonyl]-L-valyl-N5-(aminocarbonyl)-N-[4-(hydroxymethyl)phenyl]-L-ornithinamide
L-Ornithinamide, N-[(1,1-dimethylethoxy)carbonyl]-L-valyl-N5-(aminocarbonyl)-N-[4-(hydroxymethyl)phenyl]-
[Molecular Formula]

C23H37N5O6
[MDL Number]

MFCD22381208
[MOL File]

870487-09-5.mol
[Molecular Weight]

479.57
Chemical PropertiesBack Directory
[Boiling point ]

771.3±60.0 °C(Predicted)
[density ]

1.209±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,2-8°C
[solubility ]

DMSO : 100 mg/mL (208.52 mM; Need ultrasonic)
[form ]

Solid
[pka]

11.25±0.46(Predicted)
[color ]

White to off-white
[InChIKey]

NTAKMIJAGHASRI-ROUUACIJSA-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(CO)C=C1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
Hazard InformationBack Directory
[Description]

Boc-Val-Cit-PAB is a cleavable ADC linker. The Val-Cit peptide will specifically be cleaved by Cathepsin B. Boc group can be removed under acidic condition.
[Uses]

Boc-Val-Cit-PAB 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-PABA(870487-09-5)1HNMR
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