917443

BocA1V2PF2-NHC₆-NH₂

• Synonyme(s) : tert-Butyl ((S)-1-(((S)-2-((S)-2-(((S)-1-((6-aminohexyl)amino)-3-(4-fluorophenyl)-1-oxopropan-2-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
• Formule empirique (notation de Hill) : C₃₆H₅₇FN₆O₆
• Poids moléculaire : 688.87
• Numéro MDL: MFCD33021735
• Code UNSPSC : 41116105
• Nomenclature NACRES : NA.22

Propriétés

• ligand: BocA1V2PF2
• Niveau de qualité: 100
• Forme: powder
• Pertinence de la réaction: reactivity: carboxyl reactive; reagent type: ligand-linker conjugate
• Groupe fonctionnel: amine
• Température de stockage: 2-8°C
• Chaîne SMILES: C[C@H](NC(OC(C)(C)C)=O)C(N[C@H](C(N1CCC[C@H]1C(N[C@H](C(NCCCCCCN)=O)CC2=CC=C(C=C2)F)=O)=O)C3CCCCC3)=O
• InChI: 1S/C36H57FN6O6/c1-24(40-35(48)49-36(2,3)4)31(44)42-30(26-13-8-7-9-14-26)34(47)43-22-12-15-29(43)33(46)41-28(23-25-16-18-27(37)19-17-25)32(45)39-21-11-6-5-10-20-38/h16-19,24,26,28-30H,5-15,20-23,38H2,1-4H3,(H,39,45)(H,40,48)(H,41,46)(H,42,44)/t24-,28-,29-,
• Clé InChI: PVBBARWLUGITSU-DFZCOPKLSA-N

Description

Application

Protein degrader building block BocA1V2PF2-NHC₆-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:
916714 BocA1V2PF2
917443 BocA1V2PF2-NHC₆-NH₂
917699 BocA1V2PF2-NHC₁₀-NH₂
917958 BocA1V2PF2-NHPEG₁-NH₂
916692 BocA1V2PF2-NHPEG₃-NH₂

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

Autres remarques

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

Informations légales

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

Informations sur la sécurité

• Code de la classe de stockage: 11 - Combustible Solids
• Classe de danger pour l'eau (WGK): WGK 3
• Point d'éclair (°F): Not applicable
• Point d'éclair (°C): Not applicable