Boc-NH-PEG8-propargyl

CAT: 0804-HY-140883-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-140883-01Size:25 mg

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Description

Boc-NH-PEG8-propargyl is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1]. Boc-NH-PEG8-propargyl 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

2183440-31-3

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/boc-nh-peg8-propargyl.html

Solubility

10 mM in DMSO

Smiles

C#CCOCCOCCOCCOCCOCCOCCOCCOCCNC(OC(C)(C)C)=O

Molecular Formula

C24H45NO10

Molecular Weight

507.61

Precautions

P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-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

t-Boc-N-Amido-PEG8-propargyl

CAS Number	2183440-31-3
PubChem CID	131709265
IUPAC Name	tert-butyl N-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
Molecular Formula	C24H45NO10
Molecular Weight	507.6
XLogP	-0.1
Topological Polar Surface Area	112
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	27
Heavy Atom Count	35
Formal Charge	0
Complexity	518

SMILES

CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCC#C

InChI

InChI=1S/C24H45NO10/c1-5-7-27-9-11-29-13-15-31-17-19-33-21-22-34-20-18-32-16-14-30-12-10-28-8-6-25-23(26)35-24(2,3)4/h1H,6-22H2,2-4H3,(H,25,26)

InChIKey

WMHPLGWQQONPQL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2183440-31-3

CID: 131709265

Formula: C24H45NO10

MW: 507.6

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	507.6
XLogP3	-0.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	27
Exact Mass	507.30434663
Monoisotopic Mass	507.30434663
Topological Polar Surface Area	112 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	518
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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MBS5768775	Boc-NH-PEG8-propargyl
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MD068002-8	Boc-NH-PEG8-OH
MD068121-8	Boc-NH-PEG8-CH2COOH
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Boc-NH-PEG8-propargyl

Chemical Information

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