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Merck
CN

919381

CCW16

≥95%

Synonym(s):

N-Benzyl-2-chloro-N-(4-(4-methoxyphenoxy)phenyl)acetamide, E3 ubiquitin ligase ligand, Ligand for PROTAC® research, RNF4-targeting ligand

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About This Item

Empirical Formula (Hill Notation):
C22H20ClNO3
CAS Number:
Molecular Weight:
381.85
MDL number:
UNSPSC Code:
12352200
NACRES:
NA.22
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ligand

CCW16

Quality Level

assay

≥95%

form

powder

reaction suitability

reagent type: ligand

functional group

amine

storage temp.

2-8°C

SMILES string

COC1=CC=C(OC2=CC=C(N(CC3=CC=CC=C3)C(CCl)=O)C=C2)C=C1

InChI

1S/C22H20ClNO3/c1-26-19-11-13-21(14-12-19)27-20-9-7-18(8-10-20)24(22(25)15-23)16-17-5-3-2-4-6-17/h2-14H,15-16H2,1H3

InChI key

DPADEQNOMBTITM-UHFFFAOYSA-N



pictograms

Environment

signalword

Warning

hcodes

Hazard Classifications

Aquatic Acute 1 - Aquatic Chronic 1

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable



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Articles

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


Momar Toure et al.
Angewandte Chemie (International ed. in English), 55(6), 1966-1973 (2016-01-13)
The current inhibitor-based approach to therapeutics has inherent limitations owing to its occupancy-based model: 1) there is a need to maintain high systemic exposure to ensure sufficient in vivo inhibition, 2) high in vivo concentrations bring potential for off-target side effects, and 3) there is
Daniel P Bondeson et al.
Annual review of pharmacology and toxicology, 57, 107-123 (2016-10-13)
Protein homeostasis networks are highly regulated systems responsible for maintaining the health and productivity of cells. Whereas therapeutics have been developed to disrupt protein homeostasis, more recently identified techniques have been used to repurpose homeostatic networks to effect degradation of



Global Trade Item Number

SKUGTIN
919381-100MG04065265338998