DBCO-NHS ester 3

CAT: 0931-T17775-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0931-T17775-01Size:100 mg

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CAS Number

1393350-27-0

Target

ADC Linker

Related Pathways

Antibody-drug Conjugate/ADC Related

Bioactivity

DBCO-NHS ester 3 (Compound 12) is a cleavable linker utilized in the synthesis of antibody-drug conjugate (ADC) . It is a derivative of Dibenzylcyclooctyne (DBCO) resulting from the activation of N-hydroxysuccinimide by the carboxylic acid moiety of both methyl-oxanorbornadiene (MeOND) and dibenzoazacyclooctyne (DIBAC) [1][2].

Smiles

O=C(ON1C(=O)CCC1=O)CCCC(=O)N2C=3C=CC=CC3C#CC=4C=CC=CC4C2

Molecular Formula

C24H20N2O5

Molecular Weight

416.43

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

DBCO-NHS ester 3

CAS Number	1393350-27-0
PubChem CID	139600274
IUPAC Name	(2,5-dioxopyrrolidin-1-yl) 5-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-5-oxopentanoate
Molecular Formula	C24H20N2O5
Molecular Weight	416.4
XLogP	2.1
Topological Polar Surface Area	84
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	31
Formal Charge	0
Complexity	793

SMILES

C1CC(=O)N(C1=O)OC(=O)CCCC(=O)N2CC3=CC=CC=C3C#CC4=CC=CC=C42

InChI

InChI=1S/C24H20N2O5/c27-21(10-5-11-24(30)31-26-22(28)14-15-23(26)29)25-16-19-8-2-1-6-17(19)12-13-18-7-3-4-9-20(18)25/h1-4,6-9H,5,10-11,14-16H2

InChIKey

CFQHVJJWCDJMLI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1393350-27-0

CID: 139600274

Formula: C24H20N2O5

MW: 416.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	416.4
XLogP3	2.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	416.13722174
Monoisotopic Mass	416.13722174
Topological Polar Surface Area	84 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	793
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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Catalog	Name
T15067-01	DBCO-NHS ester
T89778-01	DBCO-PEG24-NHS ester
T17783-01	DBCO-PEG12-NHS ester
TYD-02785-01	DBCO-PEG6-NHS ester
TCL-02135-01	Sulfo-DBCO-NHS ester
TCL-02102-01	DBCO-PEG16-NHS ester
T17779	DBCO-PEG1-NHS ester
T15075-01	DBCO-PEG5-NHS ester
T17791-01	DBCO-PEG3-NHS ester
T84793-01	DBCO-PEG2-NHS ester

Alternative Products

Catalog	Name
TRC-D194965-100MG	DBCO-NHS Ester
4529-AAT	DBCO NHS Ester
FD176321	Dbco- nhs ester
JFC87047-01	DBCO-C6-NHS ester
572258	DBCO-PEG4-NHS Ester
HY-140271-01	DBCO-PEG1-NHS ester
sc-499348	DBCO-PEG5-NHS ester
OR1038426	DBCO-PEG8-NHS ester
sc-499351A	DBCO-Sulfo-NHS ester
BUP05130-01	DBCO-PEG3-NHS ester

DBCO-NHS ester 3

Chemical Information

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