ChemicalBook--->CAS DataBase List--->1394238-91-5

1394238-91-5

1394238-91-5 Structure

1394238-91-5 Structure
IdentificationBack Directory
[Name]

Fmoc-Val-ala-PAB
[CAS]

1394238-91-5
[Synonyms]

CS-2746
Fmoc-Val-ala-PAB
Fmoc-Val-Ala-PAB-OH
Fmoc-Val-Ala-PAB-OH, 9-fluorenylmethyloxycarbonyl-valyl-alanyl-4-aminobenzylalcohol
L-Alaninamide, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-valyl-N-[4-(hydroxymethyl)phenyl]-
(9H-Fluoren-9-yl)methyl ((S)-1-(((S)-1-((4-(hydroxymethyl)phenyl)amino)-1-oxopropan-2-yl)amino)-3-methyl-1-oxobutan-2-yl)carbamate
[Molecular Formula]

C30H33N3O5
[MDL Number]

MFCD28557282
[MOL File]

1394238-91-5.mol
[Molecular Weight]

515.6
Chemical PropertiesBack Directory
[Melting point ]

218 °C(dec.)
[Boiling point ]

811.1±65.0 °C(Predicted)
[density ]

1.251±0.06 g/cm3(Predicted)
[solubility ]

DMSO : 33.33 mg/mL (64.64 mM; ultrasonic and warming and heat to 80°C)
[form ]

powder to crystal
[pka]

10.63±0.46(Predicted)
[color ]

White to Light yellow
[InChIKey]

WJRCGFGOMNDUFV-PPHZAIPVSA-N
[SMILES]

C(N)(=O)[C@H](C)N(C(=O)[C@H](C(C)C)NC(OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)=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-P280-P301+P312-P302+P352-P305+P351+P338
[HS Code ]

2924.29.7790
Hazard InformationBack Directory
[Description]

Fmoc-Val-Ala-PAB is a cleavable ADC linker. The Val-Ala is effectively cleaved by lysosomal proteolytic enzymes while being highly stable in human plasma, making this a potentent stragy in ADC linker design. The Fmoc group can be deprotected under basic condition to obtain the free amine which can be used for further conjugations.
[Uses]

Fmoc-Val-Ala-PAB is a building block used in the synthesis of RGD peptidomimetic-paclitaxel conjugates bearing lysosomally cleavable linkers.
[IC 50]

Protease Cleavable Linker; Cleavable Linker
Spectrum DetailBack Directory
[Spectrum Detail]

Fmoc-Val-Ala-PAB-OH(1394238-91-5)1HNMR
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