929379
Opto-thalidomide-O-acetamide-C4-NH2 hydrochloride
别名:
4,5-Dimethoxy-2-nitrobenzyl 3-(4-(2-((4-aminobutyl)amino)-2-oxoethoxy)-1,3-dioxoisoindolin-2-yl)-2,6-dioxopiperidine-1-carboxylate hydrochloride
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关于此项目
经验公式（希尔记法）:
C29H31N5O12 · xHCl
分子量:
641.58 (free base basis)
MDL number:
UNSPSC Code:
12352101
NACRES:
NA.22
ligand
thalidomide
Quality Segment
form
powder
functional group
amine
storage temp.
2-8°C
SMILES string
COC1=CC(COC(N2C(CCC(N3C(C4=CC=CC(OCC(NCCCCN)=O)=C4C3=O)=O)C2=O)=O)=O)=C(C=C1OC)[N+]([O-])=O.Cl
InChI
1S/C29H31N5O12.ClH/c1-43-21-12-16(19(34(41)42)13-22(21)44-2)14-46-29(40)33-24(36)9-8-18(27(33)38)32-26(37)17-6-5-7-20(25(17)28(32)39)45-15-23(35)31-11-4-3-10-30;/h5-7,12-13,18H,3-4,8-11,14-15,30H2,1-2H3,(H,31,35);1H
InChI key
SEKXAIYNMUPUDC-UHFFFAOYSA-N
Application
Protein degrader building block Opto-thalidomide-O-acetamide-C4-NH2 hydrochloride enables the synthesis of molecules for light-induced targeted protein degradation and PROTAC® (proteolysis-targeting chimeras) research. This conjugate contains a Cereblon (CRBN) recruiting ligand, a rigid linker, 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 degrader, 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 degrader libraries that feature variation in crosslinker length, composition, and E3 ligase ligand.
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Other Notes
Legal Information
PROTAC is a registered trademark of Arvinas Operations, Inc., and is used under license
signalword
Warning
hcodes
Hazard Classifications
Acute Tox. 4 Oral - Repr. 2
存储类别
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable