Benzyl-PEG7-THP

CAT: 0804-HY-132106Size: 1 EachDry Ice: NoHazardous: No

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Description

Benzyl-PEG7-THP is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].

CAS Number

230620-75-4

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-peg7-thp.html

Solubility

10 mM in DMSO

Smiles

C1(OCCOCCOCCOCCOCCOCCOCCOCC2=CC=CC=C2)OCCCC1

Molecular Formula

C26H44O9

Molecular Weight

500.62

Precautions

P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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

Benzyl-PEG7-THP

CAS Number	230620-75-4
PubChem CID	10720206
IUPAC Name	2-[2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxane
Molecular Formula	C26H44O9
Molecular Weight	500.6
XLogP	1.4
Topological Polar Surface Area	83.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	24
Heavy Atom Count	35
Formal Charge	0
Complexity	435

SMILES

C1CCOC(C1)OCCOCCOCCOCCOCCOCCOCCOCC2=CC=CC=C2

InChI

InChI=1S/C26H44O9/c1-2-6-25(7-3-1)24-33-21-20-31-17-16-29-13-12-27-10-11-28-14-15-30-18-19-32-22-23-35-26-8-4-5-9-34-26/h1-3,6-7,26H,4-5,8-24H2

InChIKey

WMLPAOIUTSGYIB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 230620-75-4

CID: 10720206

Formula: C26H44O9

MW: 500.6

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	500.6
XLogP3	1.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	24
Exact Mass	500.29853298
Monoisotopic Mass	500.29853298
Topological Polar Surface Area	83.1 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	435
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Benzyl-PEG7-THP

Chemical Information

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