922153

(S,R,S)-VL285 Phenol-C₃-piperazine hydrochloride

• 同義詞: (2S,4R)-4-Hydroxy-1-((S)-3-methyl-2-(1-oxoisoindolin-2-yl)butanoyl)-N-(4-(4-methylthiazol-5-yl)-2-((6-(3-(piperazin-1-yl)propoxy)pyridin-3-yl)methoxy)benzyl)pyrrolidine-2-carboxamide, Crosslinker−E3 Ligase ligand conjugate, VHL protein degrader building block for PROTAC^® research
• 經驗公式（希爾表示法）: C₄₂H₅₁N₇O₆S · xHCl
• 分子量：: 781.96 (free base basis)
• 分類程式碼代碼: 12352101
• NACRES: NA.22

屬性

• ligand: VL285 phenol
• 品質等級: 100
• 形狀: solid
• 反應適用性: reactivity: carboxyl reactive; reagent type: ligand-linker conjugate
• 官能基: amine
• 儲存溫度: 2-8°C
• SMILES 字串: O=C([C@@H]1C[C@@H](O)CN1C([C@H](C(C)C)N2CC(C=CC=C3)=C3C2=O)=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4OCC6=CC=C(OCCCN7CCNCC7)C=N6.Cl
• InChI: 1S/C42H51N7O6S.ClH/c1-27(2)38(49-23-31-7-4-5-8-35(31)41(49)52)42(53)48-24-33(50)20-36(48)40(51)45-21-30-10-9-29(39-28(3)46-26-56-39)19-37(30)55-25-32-11-12-34(22-44-32)54-18-6-15-47-16-13-43-14-17-47;/h4-5,7-12,19,22,26-27,33,36,38,43,50H,6,13-18,20-21,23
• InChI 密鑰: GMECTDIJBGAEOP-VLHWNADMSA-N

描述

應用

Protein degrader building block (S,R,S)-VL285 Phenol-C₃-piperazine 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 with alternative exit vector from the widely used VH032 (901490), a linker with added rigidity, 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 terminal amine, parallel synthesis can be used to more quickly generate PROTAC libraries that feature variation in crosslinker length, composition, and E3 ligase ligand.

其他說明

Technology Spotlight: Degrader Building Blocks for Targeted Protein Degradation

Portal: Building PROTAC^® Degraders for Targeted Protein Degradation

Targeted Protein Degradation by Small Molecules

Targeted Protein Degradation: from Chemical Biology to Drug Discovery

HaloPROTACS: Use of Small Molecule PROTACs to Induce Degradation of HaloTag Fusion Proteins

Differential PROTAC substrate specificity dictated by orientation of recruited E3 ligase

法律資訊

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

安全資訊

• 儲存類別代碼: 11 - Combustible Solids
• 水污染物質分類（WGK）: WGK 3
• 閃點（°F）: Not applicable
• 閃點（°C）: Not applicable