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Merck
CN

916870

4-(1-(tert-butoxycarbonyl)piperidin-4-yl)benzoic acid

≥95%

别名:

Semi-flexible linker for PROTAC® development

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关于此项目

经验公式(希尔记法):
C17H23NO4
化学文摘社编号:
分子量:
305.37
UNSPSC Code:
12352106
MDL number:
Assay:
≥95%
Form:
powder
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Quality Level

assay

≥95%

form

powder

reaction suitability

reagent type: linker

functional group

Boc, carboxylic acid

storage temp.

2-8°C

SMILES string

O=C(N(CC1)CCC1C(C=C2)=CC=C2C(O)=O)OC(C)(C)C

InChI

1S/C17H23NO4/c1-17(2,3)22-16(21)18-10-8-13(9-11-18)12-4-6-14(7-5-12)15(19)20/h4-7,13H,8-11H2,1-3H3,(H,19,20)

InChI key

YCNVQGGUCDVTIZ-UHFFFAOYSA-N

Application

4-(1-(tert-Butoxycarbonyl)piperidin-4-yl)benzoic acid is a 4-aryl piperidine useful as a semi-flexible linker in PROTAC development for targeted protein degradation. Incorporation of rigidity into the linker region of bifunctional protein degraders may impact the 3D orientation of the degrader and thus ternary complex formation as well as optimization of drug-like properties.

Legal Information

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


pictograms

Exclamation markEnvironment

signalword

Warning

Hazard Classifications

Aquatic Acute 1 - Aquatic Chronic 1 - Eye Irrit. 2 - Skin Irrit. 2 - Skin Sens. 1

存储类别

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

法规信息

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分析证书(COA)

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Andrei A Krysko et al.
Bioorganic & medicinal chemistry letters, 21(19), 5971-5974 (2011-08-20)
The novel RGD mimetics with phthalimidine central fragment were synthesized with the use of 4-piperidine-4-yl-butyric, 4-piperidine-4-yl-benzoic, 4-piperazine-4-yl-benzoic and 1,2,3,4-tetrahydroisoquinoline-7-carboxylic acids as surrogates of Arg motif. The synthesized compounds potently inhibited platelet aggregation in vitro and blocked FITC-Fg binding to α(IIb)β(3)
Dillon T Flood et al.
Journal of the American Chemical Society, 141(25), 9998-10006 (2019-05-29)
DNA Encoded Libraries have proven immensely powerful tools for lead identification. The ability to screen billions of compounds at once has spurred increasing interest in DEL development and utilization. Although DEL provides access to libraries of unprecedented size and diversity
Andrei A Krysko et al.
Bioorganic & medicinal chemistry letters, 26(7), 1839-1843 (2016-02-26)
A series of 2-piperazin-1-yl-quinazolines were synthesized and evaluated for their antiaggregative activity. The synthesized small molecule compounds have potently inhibited platelet aggregation in vitro and blocked FITC-Fg binding to αIIbβ3 integrin in a suspension of washed human platelets. The key



全球贸易项目编号

货号GTIN
916870-100MG04061842593422