916676

A1V1PF2-OEt-PEG₃-NH₂ hydrochloride

• Sinônimo(s): 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
• Fórmula empírica (Notação de Hill): C₃₃H₅₄FN₅O₈ · xHCl
• Peso molecular: 667.81 (free base basis)
• Número MDL: MFCD34549900
• Código UNSPSC: 41116105
• NACRES: NA.22

Propriedades

• ligand: A1V1PF2
• Nível de qualidade: 100
• Formulário: powder
• adequação da reação: reactivity: carboxyl reactive; reagent type: ligand-linker conjugate
• grupo funcional: amine
• temperatura de armazenamento: 2-8°C
• cadeia de caracteres SMILES: 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
• chave InChI: SFGULORBEZCHMB-LNATTZSPSA-N

Descrição

Aplicação

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

Outras notas

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

Informações legais

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

Informações de segurança

• Código de classe de armazenamento: 11 - Combustible Solids
• Classe de risco de água (WGK): WGK 3
• Ponto de fulgor (°F): Not applicable
• Ponto de fulgor (°C): Not applicable