920606

(S,R,S)-AHPC-piperazine-pyridine-alkyne-NH₂ hydrochloride

• 別名: (2S,4R)-1-((S)-2-(4-(4-(5-(3-Aminoprop-1-yn-1-yl)pyridin-2-yl)piperazin-1-yl)butanamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide hydrochloride, Crosslinker−E3 Ligase ligand conjugate, Protein degrader building block for PROTAC^® research, Template for synthesis of targeted protein degrader, VH032 conjugate
• 実験式（ヒル表記法）: C₃₈H₅₀N₈O₄S · xHCl
• 分子量: 714.92 (free base basis)
• MDL番号: MFCD34549905
• UNSPSCコード: 12352200
• NACRES: NA.22

特性

• ligand: VH032
• 品質水準: 100
• フォーム: powder or crystals
• 反応適合性: reactivity: carboxyl reactive; reagent type: ligand-linker conjugate
• 官能基: amine
• 保管温度: 2-8°C
• SMILES記法: CC(N=CS1)=C1C2=CC=C(CNC([C@@H]3C[C@@H](O)CN3C([C@@H](NC(CCCN(CC4)CCN4C5=CC=C(C#CCN)C=N5)=O)C(C)(C)C)=O)=O)C=C2.Cl
• InChI: 1S/C38H50N8O4S.ClH/c1-26-34(51-25-42-26)29-12-9-28(10-13-29)23-41-36(49)31-21-30(47)24-46(31)37(50)35(38(2,3)4)43-33(48)8-6-16-44-17-19-45(20-18-44)32-14-11-27(22-40-32)7-5-15-39;/h9-14,22,25,30-31,35,47H,6,8,15-21,23-24,39H2,1-4H3,(H,41,49)(H,43,48);1H/t
• InChI Key: KKQIIRSKIVMTFT-JNOFBCBOSA-N

詳細

アプリケーション

Protein degrader building block (S,R,S)-AHPC-piperazine-pyridine-alkyne-NH₂ hydrochloride enables the synthesis of molecules for targeted protein degradation and PROTAC (proteolysis-targeting chimeras) technology. This conjugate contains a von Hippel-Lindau (VHL)-recruiting ligand, a rigid linker, and a pendant amine for reactivity with a carboxylic acid on the target ligand. Because even slight alterations in ligands and crosslinkers can affect ternary complex formation between the target, E3 ligase, and PROTAC, many analogs are prepared to screen for optimal target degradation. When used with other protein degrader building blocks with a pendant amine, parallel synthesis can be used to more quickly generate PROTAC libraries that feature variation in crosslinker length, composition, and E3 ligase ligand.

その他情報

Technology Spotlight: Degrader Building Blocks for Targeted Protein Degradation

Portal: Building PROTAC^® Degraders for Targeted Protein Degradation

Targeted Protein Degradation by Small Molecules

Small-Molecule PROTACS: New Approaches to Protein Degradation

Targeted Protein Degradation: from Chemical Biology to Drug Discovery

Impact of linker length on the activity of PROTACs

法的情報

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

安全性情報

• 保管分類コード: 11 - Combustible Solids
• WGK: WGK 3
• 引火点(°F): Not applicable
• 引火点(℃): Not applicable