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Merck
CN

906123

(S,R,S)-AHPC-PEG2-butyl amine hydrochloride

别名:

(2S,4R)-1-((S)-2-(2-(2-((6-Aminohexyl)oxy)ethoxy)acetamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide, (S,R,S)-AHPC-2-2-6-NH2 HCl salt, Crosslinker−E3 ligase ligand conjugate, Protein degrader building block for PROTAC® research, Template for synthesis of targeted protein degrader, VH032 conjugate

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经验公式（希尔记法）:
C32H49N5O6S · xHCl
分子量:
631.83 (free base basis)
MDL number:
MFCD32710292
UNSPSC Code:
12352101
NACRES:
NA.22

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InChI

1S/C32H49N5O6S.ClH/c1-22-28(44-21-35-22)24-11-9-23(10-12-24)18-34-30(40)26-17-25(38)19-37(26)31(41)29(32(2,3)4)36-27(39)20-43-16-15-42-14-8-6-5-7-13-33;/h9-12,21,25-26,29,38H,5-8,13-20,33H2,1-4H3,(H,34,40)(H,36,39);1H/t25-,26+,29-;/m1./s1

InChI key

CWXLKVVDXUDRQV-DDLJGEAHSA-N

SMILES string

NCCCCCCOCCOCC(N[C@H](C(N1[C@H](C(NCC2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)=O)C(C)(C)C)=O.Cl

ligand

VH032

assay

≥95%

form

solid

reaction suitability

reactivity: carboxyl reactive
reagent type: ligand-linker conjugate

functional group

amine

storage temp.

2-8°C

Quality Level

100

相关类别

General description

Protein degrader builiding block (S,R,S)-AHPC-PEG2-butyl amine (HCl salt) enables the synthesis of molecules for targeted protein degradationand PROTAC (proteolysis-targeting chimeras) technology. This conjugate contains a von Hippel-Lindau (VHL)-recruiting ligand, a linker with both hydrophobic and hydrophilic moieties, and a pendant amine for reactivity with a carboxyl group 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.

Automate your VHL-PEG based PROTACs with Synple Automated Synthesis Platform (SYNPLE-SC002)

Other Notes

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

Legal Information

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

pictograms

Exclamation mark
GHS07

signalword

Warning

hcodes

H302,H319

Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2

存储类别

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

历史批次信息供参考:

分析证书(COA)

Lot/Batch Number
0000490916
0000490916
0000361671
0000349499
0000361671

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商品

Degrader Building Blocks for Targeted Protein Degradation

Protein Degrader Building Blocks are a collection of crosslinker-E3 ligand conjugates with a pendant functional group for covalent linkage to a target ligand.

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