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Merck

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916676

A1V1PF2-OEt-PEG3-NH2 hydrochloride

別名:

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

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実隓匏ヒル衚蚘法:
C33H54FN5O8 · xHCl
分子量:
667.81 (free base basis)
MDL number:
MFCD34549900
UNSPSC Code:
41116105
NACRES:
NA.22
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ligand

A1V1PF2

Quality Segment

form

powder

reaction suitability

reactivity: carboxyl reactive, reagent type: ligand-linker conjugate

technique(s)

targeted protein degradation: suitable

functional group

amine

storage temp.

2-8°C

SMILES string

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

InChI key

SFGULORBEZCHMB-LNATTZSPSA-N

Application

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

Other Notes

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

Legal Information

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

保管分類

11 - Combustible Solids

䞀䜓䜕が起きおいるの

WGK 3

匕火点 (F)

Not applicable

匕火点°C

Not applicable

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