| Identification | Back Directory | [Name]
Val-Ala-PAB | [CAS]
1343476-44-7 | [Synonyms]
CS-2747
Val-Ala-PAB
Val-Ala-PAB-OH
L-Alaninamide, L-valyl-N-[4-(hydroxymethyl)phenyl]-
(2S)-2-amino-N-[(2S)-1-[4-(hydroxymethyl)anilino]-1-oxopropan-2-yl]-3-methylbutanamide
(S)-2-Amino-N-((S)-1-((4-(hydroxymethyl)phenyl)amino)-1-oxopropan-2-yl)-3-methylbutanamide | [Molecular Formula]
C15H23N3O3 | [MDL Number]
MFCD32641649 | [MOL File]
1343476-44-7.mol | [Molecular Weight]
293.36 |
| Chemical Properties | Back Directory | [Melting point ]
65-68°C | [Boiling point ]
584.9±50.0 °C(Predicted) | [density ]
1.191±0.06 g/cm3(Predicted) | [storage temp. ]
-20°C, Inert atmosphere | [solubility ]
DMSO (Slightly), Methanol (Slightly) | [form ]
Solid | [pka]
13.51±0.70(Predicted) | [color ]
White to Off-White | [InChI]
InChI=1S/C15H23N3O3/c1-9(2)13(16)15(21)17-10(3)14(20)18-12-6-4-11(8-19)5-7-12/h4-7,9-10,13,19H,8,16H2,1-3H3,(H,17,21)(H,18,20)/t10-,13-/m0/s1 | [InChIKey]
NNWYWNRCBPYLML-GWCFXTLKSA-N | [SMILES]
N(C1C=CC(=CC=1)CO)C(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C |
| Hazard Information | Back Directory | [Description]
Val-Ala-PAB-OH is a cleavable ADC linker with a terminal hydroxyl group. 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 hydroxyl group enables further derivatization or replacement with other reactive functional groups. | [Uses]
Val-Ala-PAB is a building block in the synthesis of Tesirine (a.k.a. SG3249), a clinical antibody-drug conjugate pyrrolobenzodiazepine dimer payload. Reagent in the preparation of pyrrolobenzodiazepine dimers and their antibody conjugates containing peptide linkers useful for treating proliferative including cancer. |
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SYNTHENTA PVT LTD
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+91-7416102217 +91-7416102217 |
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www.synthenta.com |
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