Propargyl-PEG17-methane

CAT: 0804-HY-140062-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-140062-01Size:25 mg

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Description

Propargyl-PEG17-methane is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1]. Propargyl-PEG17-methane is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.

CAS Number

2169967-47-7

UNSPSC

12352211

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/propargyl-peg17-methane.html

Solubility

10 mM in DMSO

Smiles

C#CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC

Molecular Formula

C36H70O17

Molecular Weight

774.93

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

Propargyl-PEG17-methane

CAS Number	2169967-47-7
PubChem CID	77078252
IUPAC Name	3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-yne
Molecular Formula	C36H70O17
Molecular Weight	774.9
XLogP	-2.2
Topological Polar Surface Area	157
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	17
Rotatable Bond Count	49
Heavy Atom Count	53
Formal Charge	0
Complexity	700

SMILES

COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC#C

InChI

InChI=1S/C36H70O17/c1-3-4-38-7-8-40-11-12-42-15-16-44-19-20-46-23-24-48-27-28-50-31-32-52-35-36-53-34-33-51-30-29-49-26-25-47-22-21-45-18-17-43-14-13-41-10-9-39-6-5-37-2/h1H,4-36H2,2H3

InChIKey

KXGWRMYKHLIJGH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2169967-47-7

CID: 77078252

Formula: C36H70O17

MW: 774.9

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	774.9
XLogP3	-2.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	17
Rotatable Bond Count	49
Exact Mass	774.46130076
Monoisotopic Mass	774.46130076
Topological Polar Surface Area	157 Å²
Heavy Atom Count	53
Formal Charge	0
Complexity	700
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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MBS3615615-01	Propargyl-PEG17-methane
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T18568-01	Propargyl-PEG11-methane
T18567-01	Propargyl-PEG12-methane
MBS5771449	Propargyl-PEG7-methane
T16626-01	Propargyl-PEG3-methane
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Propargyl-PEG17-methane

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