BDP FL-PEG5-propargyl

CAT: 0804-HY-141087-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-141087-01Size:5 mg

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CAS Number

2093197-93-2

UNSPSC Description

BDP FL-PEG5-propargyl is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].

Target Antigen

PROTAC Linkers

Type

Reference compound

Related Pathways

PROTAC

Applications

Cancer-programmed cell death

Field of Research

Cancer

Assay Protocol

https://www.medchemexpress.com/bdp-fl-peg5-propargyl.html

Solubility

DMSO : 100 mg/mL (ultrasonic;warming;heat to 60°C)

Smiles

O=C(NCCOCCOCCOCCOCCOCC#C)CCC1=CC=C(C=C(C(C)=C2)[N]3=C2C)[N-]1B3([F-])([F-])=B[B+]

Molecular Weight

571.04

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

Clinical Information

No Development Reported

Chemical Information

BDP FL-PEG5-propargyl

CAS Number	2093197-93-2
PubChem CID	126480481
IUPAC Name	3-(2,2-difluoro-10,12-dimethyl-1-aza-3-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-3,5,7,9,11-pentaen-4-yl)-N-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide
Molecular Formula	C27H38BF2N3O6
Molecular Weight	549.4
Topological Polar Surface Area	83.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	19
Heavy Atom Count	39
Formal Charge	0
Complexity	951

SMILES

[B-]1(N2C(=CC(=C2C=C3[N+]1=C(C=C3)CCC(=O)NCCOCCOCCOCCOCCOCC#C)C)C)(F)F

InChI

InChI=1S/C27H38BF2N3O6/c1-4-10-35-12-14-37-16-18-39-19-17-38-15-13-36-11-9-31-27(34)8-7-24-5-6-25-21-26-22(2)20-23(3)32(26)28(29,30)33(24)25/h1,5-6,20-21H,7-19H2,2-3H3,(H,31,34)

InChIKey

GPYLESDPNBDJRD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2093197-93-2

CID: 126480481

Formula: C27H38BF2N3O6

MW: 549.4

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	549.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	19
Exact Mass	549.2821724
Monoisotopic Mass	549.2821724
Topological Polar Surface Area	83.2 Å²
Heavy Atom Count	39
Formal Charge	0
Complexity	951
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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Alternative Products

Catalog	Name
GTR19226628	BDP FL-PEG5-propargyl
BA2529-1000	Propargyl-PEG5-amine
T14658-01	Bis-propargyl-PEG5
MBS3615616-01	Propargyl-PEG5-Ms
572372	Pyrene-PEG5-propargyl
MBS5799293	Propargyl-PEG5-Br
BIPG2394-01	DSPE-PEG5-propargyl
AKB77032-01	Propargyl-PEG5-Tos
T16620-01	Propargyl-PEG5-acid
T16638-01	Propargyl-PEG5-OH

BDP FL-PEG5-propargyl

Chemical Information

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