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1895916-23-0

1895916-23-0 Structure

1895916-23-0 Structure
IdentificationBack Directory
[Name]

L-Valinamide, N-[[[4-[[N-(4-carboxy-1-oxobutyl)-L-valyl-N5-(aminocarbonyl)-L-ornithyl]amino]phenyl]methoxy]carbonyl]-N-methyl-L-valyl-N-[(1S,2R)-4-[(2S)-2-[(1R,2R)-3-[[(1R,2S)-2-hydroxy-1-methyl-2-phenylethyl]amino]-1-methoxy-2-methyl-3-oxopropyl]-1-pyrrolidinyl]-2-methoxy-1-[(1S)-1-methylpropyl]-4-...
[CAS]

1895916-23-0
[Synonyms]

OH-Glu-Val-Cit-PAB-MMAE
L-Valinamide, N-[[[4-[[N-(4-carboxy-1-oxobutyl)-L-valyl-N5-(aminocarbonyl)-L-ornithyl]amino]phenyl]methoxy]carbonyl]-N-methyl-L-valyl-N-[(1S,2R)-4-[(2S)-2-[(1R,2R)-3-[[(1R,2S)-2-hydroxy-1-methyl-2-phenylethyl]amino]-1-methoxy-2-methyl-3-oxopropyl]-1-pyrrolidinyl]-2-methoxy-1-[(1S)-1-methylpropyl]-4-...
L-Valinamide, N-[[[4-[[N-(4-carboxy-1-oxobutyl)-L-valyl-N5-(aminocarbonyl)-L-ornithyl]amino]phenyl]methoxy]carbonyl]-N-methyl-L-valyl-N-[(1S,2R)-4-[(2S)-2-[(1R,2R)-3-[[(1R,2S)-2-hydroxy-1-methyl-2-phenylethyl]amino]-1-methoxy-2-methyl-3-oxopropyl]-1-pyrrolidinyl]-2-methoxy-1-[(1S)-1-methylpropyl]-4-oxobutyl]-N-methyl-
[Molecular Formula]

C63H100N10O15
[MOL File]

1895916-23-0.mol
[Molecular Weight]

1237.53
Chemical PropertiesBack Directory
[Boiling point ]

1324.5±65.0 °C(Predicted)
[density ]

1.193±0.06 g/cm3(Predicted)
[solubility ]

DMSO : 180 mg/mL (145.45 mM; Need ultrasonic)
[form ]

Solid
[pka]

4?+-.0.10(Predicted)
[color ]

White to off-white
Hazard InformationBack Directory
[Uses]

OH-Glu-Val-Cit-PAB-MMAE consists a cleavable ADC linker (OH-Glu-Val-Cit-PAB) and a potent tubulin inhibitor (MMAE). SuO-Glu-Val-Cit-PAB-MMAE can be used in the synthesis of antibody-drug conjugates (ADCs)[1].
[References]

[1] Gemma E Mudd, et al. Discovery of BT8009: A Nectin-4 Targeting Bicycle Toxin Conjugate for the Treatment of Cancer. J Med Chem. 2022 Nov 10;65(21):14337-14347. DOI:10.1021/acs.jmedchem.2c00065
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