Bis-propargyl-PEG11

CAT: 0804-HY-140039-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-140039-01Size:100 mg

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Description

Bis-propargyl-PEG11 is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1]. Bis-propargyl-PEG11 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

1351373-49-3

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/bis-propargyl-peg11.html

Purity

99.84

Solubility

10 mM in DMSO

Smiles

C#CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC#C

Molecular Formula

C28H50O12

Molecular Weight

578.69

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

Bis-propargyl-PEG11

CAS Number	1351373-49-3
PubChem CID	139593578
IUPAC Name	3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-yne
Molecular Formula	C28H50O12
Molecular Weight	578.7
XLogP	-1.3
Topological Polar Surface Area	111
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	35
Heavy Atom Count	40
Formal Charge	0
Complexity	524

SMILES

C#CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC#C

InChI

InChI=1S/C28H50O12/c1-3-5-29-7-9-31-11-13-33-15-17-35-19-21-37-23-25-39-27-28-40-26-24-38-22-20-36-18-16-34-14-12-32-10-8-30-6-4-2/h1-2H,5-28H2

InChIKey

BTLUDNMRQXMTCO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1351373-49-3

CID: 139593578

Formula: C28H50O12

MW: 578.7

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	578.7
XLogP3	-1.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	35
Exact Mass	578.33022703
Monoisotopic Mass	578.33022703
Topological Polar Surface Area	111 Å²
Heavy Atom Count	40
Formal Charge	0
Complexity	524
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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HY-140041	Bis-propargyl-PEG13
HY-140040	Bis-propargyl-PEG12
HY-140038-01	Bis-propargyl-PEG1
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GTR19261149-01	Propargyl-PEG11-acid
T208123-01	Propargyl-PEG11-amine
GTR19225840-01	Bis-Mal-PEG11
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Bis-propargyl-PEG11

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