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Merck

916692

Sigma-Aldrich

BocA1V2PF2-NHPEG3-NH2

≥95%

Sinónimos:

tert-Butyl ((S)-1-(((S)-2-((S)-2-(((S)-1-amino-15-(4-fluorophenyl)-13-oxo-3,6,9-trioxa-12-azapentadecan-14-yl)carbamoyl)pyrrolidin-1-yl)-1-cyclohexyl-2-oxoethyl)amino)-1-oxopropan-2-yl)carbamate, AVP conjugate for IAP-mediated protein degrader development, SNIPER building block

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About This Item

Fórmula empírica (notación de Hill):
C38H61FN6O9
Peso molecular:
764.92
Código UNSPSC:
41116105
NACRES:
NA.22

ligand

BocA1V2PF2

Nivel de calidad

Análisis

≥95%

formulario

powder

idoneidad de la reacción

reactivity: carboxyl reactive
reagent type: ligand-linker conjugate

grupo funcional

amine

temp. de almacenamiento

2-8°C

cadena SMILES

C[C@H](NC(OC(C)(C)C)=O)C(N[C@H](C(N1CCC[C@H]1C(N[C@H](C(NCCOCCOCCOCCN)=O)CC2=CC=C(C=C2)F)=O)=O)C3CCCCC3)=O

Aplicación

Protein degrader building block BocA1V2PF2-NHPEG3-NH2 enables the synthesis of molecules for targeted protein degradation and SNIPER (specific and non-genetic inhibitor of apoptosis protein (IAP)-dependent protein erasers) technology. Developed in partnership with ComInnex, this conjugate contains an in silico-derived IAP-recruiting ligand, an alkyl-chain crosslinker, and a pendant amine for reactivity with an acid on a target warhead. Because even slight alterations in ligands and crosslinkers can affect ternary complex formation between the target, E3 ligase, and protein degrader, many analogs are prepared to screen for optimal target degradation. When used with other protein degrader building blocks with a terminal amine, including CRBN and VHL targeted, parallel synthesis can be used to more quickly generate SNIPER and PROTAC® degrader libraries that feature variation in crosslinker length, composition, and E3 ligase ligand. Learn more about the novel IAP ligands generated through virtual screening of AVP mimetics in our Technology Spotlight.

Building blocks in this series:
917974 BocA1V2PF2
917443 BocA1V2PF2-NHC6-NH2
917699 BocA1V2PF2-NHC10-NH2
917958 BocA1V2PF2-NHPEG1-NH2
916692BocA1V2PF2-NHPEG3-NH2

Technology Spotlight: Degrader Building Blocks with Inhibitor of Apoptosis Protein (IAP) In Silico-Derived Ligands

Información legal

PROTAC is a registered trademark of Arvinas Operations, Inc., and is used under license

Producto relacionado

Referencia del producto
Descripción
Precios

Código de clase de almacenamiento

11 - Combustible Solids

Clase de riesgo para el agua (WGK)

WGK 3

Punto de inflamabilidad (°F)

Not applicable

Punto de inflamabilidad (°C)

Not applicable


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Tasuku Ishida et al.
SLAS discovery : advancing life sciences R & D, 26(4), 484-502 (2020-11-05)
Bifunctional degrader molecules, also called proteolysis-targeting chimeras (PROTACs), are a new modality of chemical tools and potential therapeutics to understand and treat human disease. A required PROTAC component is a ligand binding to an E3 ubiquitin ligase, which is then joined to another ligand binding to a protein to

Artículos

Targeted protein degradation (TPD) is an emerging strategy that uses small molecules to hijack endogenous proteolysis systems to degrade disease-relevant proteins and thus reduce their abundance in cells.

This product is a plate of 80 ligands against the E3 ligase IAP The ligands were designed by ComInnex using a computational approach. Linkers can be added to these ligands allowing attachment to target ligands to create bifunctional targeted protein degraders. The ligands can also be used to discover molecular glues that bring together the IAP E3 ligase and a target.

Protein Degrader Building Blocks are a collection of crosslinker-E3 ligand conjugates with a pendant functional group for covalent linkage to a target ligand.

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