Amino-PEG36-acid

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Description

Amino-PEG36-acid is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].

CAS Number

2241751-76-6

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/amino-peg36-acid.html

Solubility

10 mM in DMSO

Smiles

O=C(O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN

Molecular Formula

C75H151NO38

Molecular Weight

1674.99

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

Amino-PEG36-acid

CAS Number	2241751-76-6
PubChem CID	91757836
IUPAC Name	3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
Molecular Formula	C75H151NO38
Molecular Weight	1675.0
XLogP	-8.8
Topological Polar Surface Area	396
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	39
Rotatable Bond Count	110
Heavy Atom Count	114
Formal Charge	0
Complexity	1510

SMILES

C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN)C(=O)O

InChI

InChI=1S/C75H151NO38/c76-2-4-80-6-8-82-10-12-84-14-16-86-18-20-88-22-24-90-26-28-92-30-32-94-34-36-96-38-40-98-42-44-100-46-48-102-50-52-104-54-56-106-58-60-108-62-64-110-66-68-112-70-72-114-74-73-113-71-69-111-67-65-109-63-61-107-59-57-105-55-53-103-51-49-101-47-45-99-43-41-97-39-37-95-35-33-93-31-29-91-27-25-89-23-21-87-19-17-85-15-13-83-11-9-81-7-5-79-3-1-75(77)78/h1-74,76H2,(H,77,78)

InChIKey

QKMSNDXWGWBERW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2241751-76-6

CID: 91757836

Formula: C75H151NO38

MW: 1675.0

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	1675.0
XLogP3	-8.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	39
Rotatable Bond Count	110
Exact Mass	1673.9914094
Monoisotopic Mass	1673.9914094
Topological Polar Surface Area	396 Å²
Heavy Atom Count	114
Formal Charge	0
Complexity	1510
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

Related Products

Catalog	Name
HY-140187	Amino-PEG36-CONH-PEG36-acid
HY-140200	Amino-PEG36-Boc
HY-140207	Amino-PEG36-alcohol
HY-133338	Amino-PEG36-CH2-Boc
HY-141164	TCO-PEG36-acid
HY-140494	Biotin-PEG36-acid
HY-140458-01	Azido-PEG36-acid
HY-141355-01	OPSS-PEG36-acid
HY-140464-01	Fmoc-N-PEG36-acid
HY-133360	Cbz-NH-PEG36-C2-acid

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Catalog	Name
MBS5770307	Amino-PEG36-CONH-PEG36-acid
BIPG1043	Amino-PEG36-acid
sc-496105	Amino-PEG36-alcohol
T17431-01	Amino-PEG36-Boc
T17577-01	Biotin-PEG36-acid
T18510-01	OPSS-PEG36-acid
T17510-01	Azido-PEG36-acid
MBS5771631	TCO-PEG36-acid
GTR19225989-01	Amino-PEG36-CH2-Boc
BIPG1777-01	SDPD-PEG36-acid

Amino-PEG36-acid

Chemical Information

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