ChemicalBook--->CAS DataBase List--->1263045-16-4

1263045-16-4

1263045-16-4 Structure

1263045-16-4 Structure
IdentificationBack Directory
[Name]

Mal-Amido-PEG4-acid
[CAS]

1263045-16-4
[Synonyms]

Mal-NH-PEG4-COOH
Mal-NH-PEG4-acid
Mal-Amido-PEG4-acid
MAL-AMIDO-PEG4-COOH
Maleimide-NH-PEG4-CH2CH2COOH
Maleimide-PEG4-propionic acid
Mal-amido-PEG4-propionic acid
Mal-CH2CH2CONH-PEG4-CH2CH2COOH
19-Maleimido-17-oxo-4,7,10,13-tetraoxa-16-azanonadecanoic Acid
1-Maleimido-3-oxo-7,10,13,16-tetraoxa-4-azanonadecan-19-oic Acid
4,7,10,13-Tetraoxa-16-azanonadecanoic acid, 19-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-17-oxo-
1-[3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanamido]-3,6,9,12-tetraoxapentadecan-15-oic acid
[Molecular Formula]

C18H28N2O9
[MDL Number]

MFCD13184954
[MOL File]

1263045-16-4.mol
[Molecular Weight]

416.42
Chemical PropertiesBack Directory
[Boiling point ]

659.1±55.0 °C(Predicted)
[density ]

1.270±0.06 g/cm3(Predicted)
[solubility ]

Soluble in Water, DMSO, DMF, DCM
[form ]

powder to crystal
[pka]

4.28±0.10(Predicted)
[color ]

White to Gray to Brown
[InChI]

InChI=1S/C18H28N2O9/c21-15(3-6-20-16(22)1-2-17(20)23)19-5-8-27-10-12-29-14-13-28-11-9-26-7-4-18(24)25/h1-2H,3-14H2,(H,19,21)(H,24,25)
[InChIKey]

IAJVEYLYYHOZEY-UHFFFAOYSA-N
[SMILES]

C(O)(=O)CCOCCOCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O
[CAS DataBase Reference]

1263045-16-4
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P280-P302+P352-P362+P364
[HS Code ]

3822000000
Hazard InformationBack Directory
[Description]

Mal-amido-PEG4-acid is a PEG linker containing a maleimide group and a terminal carboxylic acid. The hydrophilic PEG spacer increases solubility in aqueous media. The terminal carboxylic acid can react with primary amine groups in the presence of activators (e.g. EDC, or HATU) to form a stable amide bond. The maleimide group will react with a thiol group to form a covalent bond, enabling the connection of biomolecule with a thiol.
[Uses]

Mal-amido-PEG4-C2-acid is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].
[IC 50]

PEGs
[References]

[1] An S, et al. Small-molecule PROTACs: An emerging and promising approach for the development of targeted therapy drugs. EBioMedicine. 2018 Oct;36:553-562. DOI:10.1016/j.ebiom.2018.09.005
Spectrum DetailBack Directory
[Spectrum Detail]

Mal-Amido-PEG4-acid(1263045-16-4)1HNMR
Mal-Amido-PEG4-acid(1263045-16-4)1HNMR
Mal-Amido-PEG4-acid(1263045-16-4)13CNMR
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