916676

A1V1PF2-OEt-PEG₃-NH₂ hydrochloride

• Synonym(e): AVP conjugate for IAP-mediated protein degrader development, Ethyl (S)-2-((S)-1-((2S,5S)-17-amino-2-(tert-butyl)-5-methyl-4-oxo-9,12,15-trioxa-3,6-diazaheptadecanoyl)pyrrolidine-2-carboxamido)-3-(4-fluorophenyl)propanoate hydrochloride, SNIPER building block
• Empirische Formel (Hill-System): C₃₃H₅₄FN₅O₈ · xHCl
• Molekulargewicht: 667.81 (free base basis)
• MDL-Nummer: MFCD34549900
• UNSPSC-Code: 41116105
• NACRES: NA.22

Eigenschaften

• ligand: A1V1PF2
• Qualitätsniveau: 100
• Form: powder
• Eignung der Reaktion: reactivity: carboxyl reactive; reagent type: ligand-linker conjugate
• Funktionelle Gruppe: amine
• Lagertemp.: 2-8°C
• SMILES String: C[C@H](NCCOCCOCCOCCN)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
• InChI: 1S/C33H54FN5O8.ClH/c1-6-47-32(43)26(22-24-9-11-25(34)12-10-24)37-30(41)27-8-7-15-39(27)31(42)28(33(3,4)5)38-29(40)23(2)36-14-17-45-19-21-46-20-18-44-16-13-35;/h9-12,23,26-28,36H,6-8,13-22,35H2,1-5H3,(H,37,41)(H,38,40);1H/t23-,26-,27-,28+;/m0./s1
• InChIKey: SFGULORBEZCHMB-LNATTZSPSA-N

Beschreibung

Anwendung

Protein degrader building block A1V1PF2-OEt-PEG₃-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-OEt917427 A1V1PF2-OEt-C₆-NH₂ hydrochloride917672 A1V1PF2-OEt-C₁₀-NH₂ hydrochloride 917923 A1V1PF2-OEt-PEG₁-NH₂ hydrochloride916676 A1V1PF2-OEt-PEG₃-NH₂ hydrochlorideTechnology Spotlight: Degrader Building Blocks with Inhibitor of Apoptosis Protein (IAP) In Silico-Derived Ligands

Sonstige Hinweise

In Vivo Knockdown of Pathogenic Proteins via Specific and Nongenetic Inhibitor of Apoptosis Protein (IAP)-dependent Protein Erasers (SNIPERs)

SNIPERs−Hijacking IAP activity to induce protein degradation

E3 Ligase Ligands for PROTACs: How They Were Found and How to Discover New Ones

Rechtliche Hinweise

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

Sicherheitshinweise

• Lagerklassenschlüssel: 11 - Combustible Solids
• WGK: WGK 3
• Flammpunkt (°F): Not applicable
• Flammpunkt (°C): Not applicable