Halo-DBCO

CAT: 0804-HY-151716-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-151716-01Size:5 mg

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Description

Halo-DBCO is a click chemistry reagent containing dibenzocyclooctyne (DBCO) . Halo-DBCO can be used as a ligand to react with HaloTag to form covalent HaloTag ligand couples[1].

CAS Number

1808119-16-5

UNSPSC

12352005

Target

PROTAC Linkers

Type

Reference compound

Related Pathways

PROTAC

Applications

Cancer-programmed cell death

Field of Research

Others

Assay Protocol

https://www.medchemexpress.com/halo-dbco.html

Concentration

10mM

Purity

98.25

Solubility

DMSO : 100 mg/mL (ultrasonic)

Smiles

O=C(CCC(N1C2=C(C#CC3=C(C1)C=CC=C3)C=CC=C2)=O)NCCOCCOCCCCCCCl

Molecular Formula

C29H35ClN2O4

Molecular Weight

511.05

References & Citations

[1]Teng X, et al. ClickRNA-PROTAC for Tumor-Selective Protein Degradation and Targeted Cancer Therapy. J Am Chem Soc. 2024 Oct 9;146 (40) :27382-27391.

Shipping Conditions

Room Temperature

Storage Conditions

-20°C, 3 years; 4°C, 2 years (Powder)

Scientific Category

Reference compound1

Clinical Information

No Development Reported

Chemical Information

Halo-DBCO

CAS Number	1808119-16-5
PubChem CID	156484476
IUPAC Name	4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-N-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]-4-oxobutanamide
Molecular Formula	C29H35ClN2O4
Molecular Weight	511.0
XLogP	3.8
Topological Polar Surface Area	67.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	15
Heavy Atom Count	36
Formal Charge	0
Complexity	733

SMILES

C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCC(=O)NCCOCCOCCCCCCCl

InChI

InChI=1S/C29H35ClN2O4/c30-17-7-1-2-8-19-35-21-22-36-20-18-31-28(33)15-16-29(34)32-23-26-11-4-3-9-24(26)13-14-25-10-5-6-12-27(25)32/h3-6,9-12H,1-2,7-8,15-23H2,(H,31,33)

InChIKey

IPBMADSLMZUFQN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1808119-16-5

CID: 156484476

Formula: C29H35ClN2O4

MW: 511.0

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	511.0
XLogP3	3.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	15
Exact Mass	510.2285353
Monoisotopic Mass	510.2285353
Topological Polar Surface Area	67.9 Å²
Heavy Atom Count	36
Formal Charge	0
Complexity	733
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-D2332-01	SiR-Halo
HY-140305	DBCO-PEG13-DBCO
HY-151834-01	DBCO-PEG2-DBCO
HY-140304	DBCO-PEG10-DBCO
HY-140303	DBCO-PEG9-DBCO
HY-140302-01	DBCO-PEG5-DBCO
HY-130346-01	DBCO-PEG4-DBCO
HY-D2270-01	Halo tag TMR
HY-159493-01	BI2536-PEG2-Halo
HY-KD1025	Halo Green Kit

Alternative Products

Catalog	Name
BA2429-50	Halo-DBCO
C8327-5	SiR-Halo
P71403	TUBB5-Halo
P2272	PET15b-Halo
T89174-01	BI2536-PEG2-Halo
GTR19332334-01	Halo tag TMR
PHE1024	HALO food electrode
PVT85514	TUBB5-Halo Plasmid
MBS5784379	TMP-NVOC-Halo
PHE1022	HALO pH Probe

Halo-DBCO

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