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Merck

917672

Sigma-Aldrich

A1V1PF2-OEt-C10-NH2 hydrochloride

Sinónimos:

AVP conjugate for IAP-mediated protein degrader development, Ethyl (S)-2-((S)-1-((S)-2-((S)-2-((10-aminodecyl)amino)propanamido)-3,3-dimethylbutanoyl)pyrrolidine-2-carboxamido)-3-(4-fluorophenyl)propanoate, SNIPER building block

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About This Item

Fórmula empírica (notación de Hill):
C35H58FN5O5 · xHCl
Peso molecular:
647.86 (free base basis)
Código UNSPSC:
41116105
NACRES:
NA.22

ligand

A1V1PF2

Nivel de calidad

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](NCCCCCCCCCCN)C(N[C@H](C(N1CCC[C@H]1C(N[C@H](C(OCC)=O)CC2=CC=C(C=C2)F)=O)=O)C(C)(C)C)=O.Cl

Aplicación

Protein degrader building block A1V1PF2-OEt-C10-NH2 hydrochloride 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:
917710 A1V1PF2-OEt
917427 A1V1PF2-OEt-C6-NH2 hydrochloride
917672A1V1PF2-OEt-C10-NH2 hydrochloride
917923 A1V1PF2-OEt-PEG1-NH2 hydrochloride
916676 A1V1PF2-OEt-PEG3-NH2 hydrochloride

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

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Referencia del producto
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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

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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