NH2-PEG2-methyl acetate

CAT: 0804-HY-W096162Size: 1 EachDry Ice: NoHazardous: No

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Description

NH2-PEG2-methyl acetate is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].

CAS Number

741235-80-3

UNSPSC

12352211

Hazard Statement

H315-H319-H320

Target

PROTAC Linkers

Type

Reference compound

Related Pathways

PROTAC

Applications

Cancer-programmed cell death

Field of Research

Cancer

Assay Protocol

https://www.medchemexpress.com/nh2-peg2-methyl-acetate.html

Solubility

10 mM in DMSO

Smiles

COC(COCCOCCN)=O

Molecular Formula

C7H15NO4

Molecular Weight

177.20

Precautions

P264-P280-P302+P352-P305+P351+P338-P362

References & Citations

[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

Shipping Conditions

Room temperature

Scientific Category

Reference compound1

Clinical Information

No Development Reported

Isoform

PEG Linkers

Chemical Information

NH2-PEG2-methyl acetate

CAS Number	741235-80-3
PubChem CID	23518391
IUPAC Name	methyl 2-[2-(2-aminoethoxy)ethoxy]acetate
Molecular Formula	C7H15NO4
Molecular Weight	177.20
XLogP	-1.1
Topological Polar Surface Area	70.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Heavy Atom Count	12
Formal Charge	0
Complexity	118

SMILES

COC(=O)COCCOCCN

InChI

InChI=1S/C7H15NO4/c1-10-7(9)6-12-5-4-11-3-2-8/h2-6,8H2,1H3

InChIKey

VCBYEYGFAFFNFT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 741235-80-3

CID: 23518391

Formula: C7H15NO4

MW: 177.20

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	177.20
XLogP3	-1.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Exact Mass	177.10010796
Monoisotopic Mass	177.10010796
Topological Polar Surface Area	70.8 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	118
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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NH2-PEG2-methyl acetate

Chemical Information

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