Benzyl-PEG3-acid

CAT: 0804-HY-W096089-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-W096089-01Size:250 mg

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Description

Benzyl-PEG3-acid is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].

CAS Number

127457-63-0

UNSPSC

12352005

Hazard Statement

H302, H315, H319, H335

Target

PROTAC Linkers

Type

Reference compound

Related Pathways

PROTAC

Applications

Cancer-programmed cell death

Field of Research

Cancer

Assay Protocol

https://www.medchemexpress.com/benzyl-peg3-acid.html

Purity

97.0

Solubility

10 mM in DMSO

Smiles

OC(CCOCCOCCOCC1=CC=CC=C1)=O

Molecular Formula

C14H20O5

Molecular Weight

268.31

Precautions

H302, H315, H319, H335

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

Storage Conditions

-20°C, 3 years; 4°C, 2 years (Powder)

Scientific Category

Reference compound1

Clinical Information

No Development Reported

Isoform

PEG Linkers

Chemical Information

3-(2-(2-(Benzyloxy)ethoxy)ethoxy)propanoic acid

CAS Number	127457-63-0
PubChem CID	14462372
IUPAC Name	3-[2-(2-phenylmethoxyethoxy)ethoxy]propanoic acid
Molecular Formula	C14H20O5
Molecular Weight	268.30
XLogP	0.8
Topological Polar Surface Area	65
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	11
Heavy Atom Count	19
Formal Charge	0
Complexity	226

SMILES

C1=CC=C(C=C1)COCCOCCOCCC(=O)O

InChI

InChI=1S/C14H20O5/c15-14(16)6-7-17-8-9-18-10-11-19-12-13-4-2-1-3-5-13/h1-5H,6-12H2,(H,15,16)

InChIKey

QCNCDLBZNNIXAQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 127457-63-0

CID: 14462372

Formula: C14H20O5

MW: 268.30

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	268.30
XLogP3	0.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	11
Exact Mass	268.13107373
Monoisotopic Mass	268.13107373
Topological Polar Surface Area	65 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	226
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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OR1039347-01	Benzyl-PEG3-acid
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T40812-01	Benzyl-PEG3-MS
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BIPG1185-01	Benzyl-PEG3-alcohol
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Benzyl-PEG3-acid

Chemical Information

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