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863971-44-2

863971-44-2 Structure

863971-44-2 Structure
IdentificationBack Directory
[Name]

(5S,9S,11S,12R)-11-((S)-sec-butyl)-1-(9H-fluoren-9-yl)-5,9-diisopropyl-12-Methoxy-4,10-diMethyl-3,6,8-trioxo-2-oxa-4,7,10-triazatetradecan-14-oic acid
[CAS]

863971-44-2
[Synonyms]

FMOC-3AA-OH
Fmoc-3vvd-OH
Fmoc-3AA-orl
Tripeptide (MMAE-3)
Fmoc-Meval-val-dolaisoleucine-OH
N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-valyl-N-[(1S,2S)-1-[(1R)-2-carboxy-1-methoxyethyl]-2-methylbutyl]-N-methyl-L- valinamide
L-Valinamide, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-valyl-N-[(1S,2S)-1-[(1R)-2-carboxy-1-methoxyethyl]-2-methylbutyl]-N-methyl-
(5S,8S,12R)-11-((S)-sec-butyl)-1-(9H-fluoren-9-yl)-5,8-diisopropyl-12-methoxy-4,10-dimethyl-3,6,9-trioxo-2-oxa-4,7,10-triazatetradecan-14-oic acid
(5S,9S,11S,12R)-11-((S)-sec-butyl)-1-(9H-fluoren-9-yl)-5,9-diisopropyl-12-Methoxy-4,10-diMethyl-3,6,8-trioxo-2-oxa-4,7,10-triazatetradecan-14-oic acid
(5S,8S,11S,12R)-11-((S)-sec-butyl)-1-(9H-fluoren-9-yl)-5,8-diisopropyl-12-methoxy-4,10-dimethyl-3,6,9-trioxo-2-oxa-4,7,10-triazatetradecan-14-oic acid
[Molecular Formula]

C36H51N3O7
[MDL Number]

MFCD28386982
[MOL File]

863971-44-2.mol
[Molecular Weight]

637.81
Chemical PropertiesBack Directory
[Boiling point ]

793.0±60.0 °C(Predicted)
[density ]

1.144±0.06 g/cm3(Predicted)
[solubility ]

DMSO: ≥ 37 mg/mL (58.01 mM)
[form ]

Solid
[pka]

4.08±0.10(Predicted)
[color ]

White to off-white
[Water Solubility ]

Water: < 0.1 mg/mL (insoluble)
[InChIKey]

JDMOCVJBADMSJP-FCUBIXSHSA-N
[SMILES]

C(NC(=O)[C@H](C(C)C)N(C(OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)=O)C)(=O)[C@H](C(C)C)N([C@H]([C@H](OC)CC(O)=O)[C@@H](C)CC)C
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
Hazard InformationBack Directory
[Uses]

Fmoc-3VVD-OH is a cleavable ADC linker for antibody-drug conjugate (ADC) synthesis.
[Biological Activity]

Fmoc-3VVD-OH is a non-cleavable ADC linker for the synthesis of antibody drug conjugates (ADCs).
[in vitro]

ADCs are comprised of an antibody to which is attached an ADC cytotoxin through an ADC linker.

[in vivo]

ADCs consist of antibodies linked to ADC cytotoxins through ADC linkers.
[target]

Cleavable

Spectrum DetailBack Directory
[Spectrum Detail]

Fmoc-3VVD-OH(863971-44-2)1HNMR
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