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160800-65-7

160800-65-7 Structure

160800-65-7 Structure
IdentificationBack Directory
[Name]

(S)-tert-butyl 2-((1R,2R)-3-(((1S,2R)-1-hydroxy-1-phenylpropan-2-yl)amino)-1-methoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylate
[CAS]

160800-65-7
[Synonyms]

Boc-Dap-NE
(S)-tert-butyl 2-((1R,2R)-3-(((1S,2R)-1-hydroxy-1-phenylpropan-2-yl)amino)-1-methoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylate
1-Pyrrolidinecarboxylic acid, 2-[(1R,2R)-3-[[(1R,2S)-2-hydroxy-1-methyl-2-phenylethyl]amino]-1-methoxy-2-methyl-3-oxopropyl]-, 1,1-dimethylethyl ester, (2S)-
[Molecular Formula]

C23H36N2O5
[MDL Number]

MFCD31694246
[MOL File]

160800-65-7.mol
[Molecular Weight]

420.54
Chemical PropertiesBack Directory
[Melting point ]

55-57 °C
[Boiling point ]

589.1±50.0 °C(Predicted)
[density ]

1.125±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C, stored under nitrogen
[solubility ]

DMSO: 100 mg/mL (237.79 mM)
[form ]

Solid
[pka]

13.66±0.20(Predicted)
[color ]

White to off-white
[Water Solubility ]

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

XJDVGABQIFOWFC-SCQOQHIRSA-N
[SMILES]

N1(C(OC(C)(C)C)=O)CCC[C@H]1[C@H](OC)[C@@H](C)C(N[C@H](C)[C@@H](O)C1=CC=CC=C1)=O
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]

Boc-Dap-NE, a dipeptide, is a cleavable ADC linker for the synthesis of antibody-drug conjugates (ADCs).

[Biological Activity]

Boc-Dap-NE is a dipeptide used as a cleavable ADC linker for the synthesis of antibody drug conjugates (ADCs).
[target]

Cleavable

[IC 50]

Cleavable Linker
Spectrum DetailBack Directory
[Spectrum Detail]

(S)-tert-butyl 2-((1R,2R)-3-(((1S,2R)-1-hydroxy-1-phenylpropan-2-yl)amino)-1-methoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylate(160800-65-7)1HNMR
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