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安全信息

916706

Sigma-Aldrich

BocA1V2PF1-NHC10-NH2

别名:

tert-Butyl ((S)-1-(((S)-2-((S)-2-(((S)-1-((10-aminodecyl)amino)-1-oxo-3-phenylpropan-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

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About This Item

经验公式（希尔记法）:
C40H66N6O6
分子量:
726.99
MDL编号:
MFCD34166205
UNSPSC代码:
41116105
NACRES:
NA.22

ligand

BocA1V2PF1

质量水平

100

表单

powder, crystals or chunks

反应适用性

reactivity: carboxyl reactive
reagent type: ligand-linker conjugate

官能团

amine

储存温度

2-8°C

SMILES字符串

C[C@H](NC(OC(C)(C)C)=O)C(N[C@H](C(N1CCC[C@H]1C(N[C@H](C(NCCCCCCCCCCN)=O)CC2=CC=CC=C2)=O)=O)C3CCCCC3)=O

InChI

1S/C40H66N6O6/c1-29(43-39(51)52-40(2,3)4)35(47)45-34(31-22-15-12-16-23-31)38(50)46-27-19-24-33(46)37(49)44-32(28-30-20-13-11-14-21-30)36(48)42-26-18-10-8-6-5-7-9-17-25-41/h11,13-14,20-21,29,31-34H,5-10,12,15-19,22-28,41H2,1-4H3,(H,42,48)(H,43,51)(H,44,49)

InChI key

DWWHKOSRCMFTCZ-UYDQTSAYSA-N

相关类别

应用

Protein degrader building block BocA1V2PF1-NHC10-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:
916978 BocA1V2PF1
917966 BocA1V2PF1-NHC6-NH2
916706 BocA1V2PF1-NHC10-NH2
916951 BocA1V2PF1-NHPEG1-NH2
917214 BocA1V2PF1-NHPEG3-NH2

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

其他说明

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

法律信息

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

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BocA1V2PF1-NHC6-NH2

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A1V1PF2-OEt, ≥95%

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BocA1V2PF1-NHPEG3-NH2, ≥85%

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BocA1V1PF2-OC6-NH2 hydrochloride, ≥95%

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A1V1PF2-OEt-PEG3-NH2 hydrochloride

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917672

A1V1PF2-OEt-C10-NH2 hydrochloride

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A1V2PF1-NHEt-C10-NH2

917184

BocA1V1PF2-OC10-NH2 hydrochloride

916943

A1V2PF1-NHEt-C6-NH2

916692

BocA1V2PF2-NHPEG3-NH2, ≥95%

917427

A1V1PF2-OEt-C6-NH2 hydrochloride

917435

BocA1V1PF2-OPEG1-NH2 hydrochloride, ≥95%

916978

BocA1V2PF1, ≥95%

917699

BocA1V2PF2-NHC10-NH2, ≥85%

917222

A1V2PF1-NHEt, ≥95%

917958

BocA1V2PF2-NHPEG1-NH2

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A1V2PF2-NHEt, ≥95%

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A1V2PF2-NHEt-PEG3-NH2, ≥95%

916935

A1V2PF2-NHEt-PEG1-NH2

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BocA1V2PF2-NHC6-NH2

919438

CCW16-C9-BocNH, ≥95%

CIX001

ComInnex IAP Ligand Library

储存分类代码

11 - Combustible Solids

WGK

WGK 3

闪点(°F)

Not applicable

闪点(°C)

Not applicable

法规信息

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Mikihiko Naito et al.
Drug discovery today. Technologies, 31, 35-42 (2019-06-16)
The induction of protein degradation by chimeric small molecules represented by proteolysis-targeting chimeras (PROTACs) is an emerging approach for novel drug development. We have developed a series of chimeric molecules termed specific and non-genetic inhibitor of apoptosis protein (IAP)-dependent protein
Nobumichi Ohoka et al.
The Journal of biological chemistry, 292(11), 4556-4570 (2017-02-06)
Many diseases, especially cancers, result from aberrant or overexpression of pathogenic proteins. Specific inhibitors against these proteins have shown remarkable therapeutic effects, but these are limited mainly to enzymes. An alternative approach that may have utility in drug development relies
Tasuku Ishida et al.
SLAS discovery : advancing life sciences R & D, 26(4), 484-502 (2020-11-05)
Bifunctional degrader molecules, also called proteolysis-targeting chimeras (PROTACs), are a new modality of chemical tools and potential therapeutics to understand and treat human disease. A required PROTAC component is a ligand binding to an E3 ubiquitin ligase, which is then joined to another ligand binding to a protein to

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Plate of 80 ligands against E3 ligase IAP designed by ComInnex; allows creation of bifunctional targeted protein degraders or molecular glues.

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