Ms-PEG6-THP

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Description

Ms-PEG6-THP is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].

CAS Number

42607-89-6

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/ms-peg6-thp.html

Solubility

10 mM in DMSO

Smiles

CS(OCCOCCOCCOCCOCCOCCOC1CCCCO1)(=O)=O

Molecular Formula

C18H36O10S

Molecular Weight

444.54

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

Ms-PEG6-THP

CAS Number	42607-89-6
PubChem CID	156597072
IUPAC Name	2-[2-[2-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate
Molecular Formula	C18H36O10S
Molecular Weight	444.5
XLogP	-0.4
Topological Polar Surface Area	116
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	20
Heavy Atom Count	29
Formal Charge	0
Complexity	454

SMILES

CS(=O)(=O)OCCOCCOCCOCCOCCOCCOC1CCCCO1

InChI

InChI=1S/C18H36O10S/c1-29(19,20)28-17-15-25-13-11-23-9-7-21-6-8-22-10-12-24-14-16-27-18-4-2-3-5-26-18/h18H,2-17H2,1H3

InChIKey

PCSQWQKEAAOPKF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 42607-89-6

CID: 156597072

Formula: C18H36O10S

MW: 444.5

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	444.5
XLogP3	-0.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	20
Exact Mass	444.20291851
Monoisotopic Mass	444.20291851
Topological Polar Surface Area	116 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	454
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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HY-138324	Ms-PEG6-MS
HY-138371	MS-PEG12-THP
HY-132105	Benzyl-PEG6-THP
HY-138325	Azido-PEG6-THP
HY-126918-01	THP-PEG6-OH

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Catalog	Name
T40530-01	Ms-PEG6-THP
sc-496948	THP-PEG6
T38491-01	Ms-PEG6-Ms
T39834-01	Benzyl-PEG6-THP
T17084-01	THP-PEG6-OH
GTR19261049-01	Azido-PEG6-THP
T208057-01	MS-PEG5-THP
T208037-01	MS-PEG8-THP
T40632-01	MS-PEG12-THP
T40448-01	MS-PEG3-THP

Ms-PEG6-THP

Chemical Information

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