MS-PEG12-THP

CAT: 0804-HY-138371Size: 1 EachDry Ice: NoHazardous: No

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Description

MS-PEG12-THP is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].

CAS Number

552886-58-5

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-peg12-thp.html

Solubility

10 mM in DMSO

Smiles

O=S(OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC1CCCCO1)(C)=O

Molecular Formula

C30H60O16S

Molecular Weight

708.85

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-Peg12-thp

CAS Number	552886-58-5
PubChem CID	11039814
IUPAC Name	2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate
Molecular Formula	C30H60O16S
Molecular Weight	708.9
XLogP	-1.3
Topological Polar Surface Area	172
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	16
Rotatable Bond Count	38
Heavy Atom Count	47
Formal Charge	0
Complexity	727

SMILES

CS(=O)(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC1CCCCO1

InChI

InChI=1S/C30H60O16S/c1-47(31,32)46-29-27-43-25-23-41-21-19-39-17-15-37-13-11-35-9-7-33-6-8-34-10-12-36-14-16-38-18-20-40-22-24-42-26-28-45-30-4-2-3-5-44-30/h30H,2-29H2,1H3

InChIKey

QUOJIJQJLMOFCD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 552886-58-5

CID: 11039814

Formula: C30H60O16S

MW: 708.9

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	708.9
XLogP3	-1.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	16
Rotatable Bond Count	38
Exact Mass	708.36020700
Monoisotopic Mass	708.36020700
Topological Polar Surface Area	172 Å²
Heavy Atom Count	47
Formal Charge	0
Complexity	727
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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T40632-01	MS-PEG12-THP
T207958-01	THP-PEG12-THP
BIPG2477-01	THP-PEG12
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T208052-01	Azido-PEG12-THP
GTR19225269-01	Ms-PEG12-Boc
T208057-01	MS-PEG5-THP
T208037-01	MS-PEG8-THP
T40448-01	MS-PEG3-THP
MBS5799307	MS-PEG1-THP

MS-PEG12-THP

Chemical Information

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