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N-DBCO-N-bis (PEG2-C2-NHS ester)

CAT: 0013-GTR19225226-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19225226-01Size:1 mg
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Description
This heterobifunctional linker is designed for constructing PROTAC molecules, featuring a PEG-like spacer and a DBCO group for bioorthogonal click chemistry with azides. It enables the synthesis of bifunctional degraders for targeted protein degradation research in both cellular and in vivo models, facilitating the study of disease-relevant pathways.
CAS Number
2128735-29-3
Product Name Alternative
N DBCO N bis (PEG2 C2 NHS ester), NDBCONbis (PEG2C2NHS ester), N-DBCO-N-bis (PEG-2-C2-NHS ester), N-DBCO-N-bis (PEG2-C2-NHS ester), PEGs
Field of Research
Metabolism Research, Pharmacology & Drug Discovery
Solubility
DMSO:40 mg/mL (48.85 mM)
Smiles
O=C (ON1C (=O) CCC1=O) CCOCCOCCN (C (=O) CCC (=O) N2C=3C=CC=CC3C#CC=4C=CC=CC4C2) CCOCCOCCC (=O) ON5C (=O) CCC5=O
Molecular Formula
C41H46N4O14
Molecular Weight
818.82
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-DBCO-N-bis(PEG2-NHS ester)
CAS Number2128735-29-3
PubChem CID129627657
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]propanoate
Molecular FormulaC41H46N4O14
Molecular Weight818.8
XLogP-0.5
Topological Polar Surface Area205
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count14
Rotatable Bond Count25
Heavy Atom Count59
Formal Charge0
Complexity1490
SMILES
C1CC(=O)N(C1=O)OC(=O)CCOCCOCCN(CCOCCOCCC(=O)ON2C(=O)CCC2=O)C(=O)CCC(=O)N3CC4=CC=CC=C4C#CC5=CC=CC=C53
InChI
InChI=1S/C41H46N4O14/c46-34(11-12-35(47)43-29-32-7-2-1-5-30(32)9-10-31-6-3-4-8-33(31)43)42(19-23-56-27-25-54-21-17-40(52)58-44-36(48)13-14-37(44)49)20-24-57-28-26-55-22-18-41(53)59-45-38(50)15-16-39(45)51/h1-8H,11-29H2
InChIKey
KUJNKGPVOIXRHI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-DBCO-N-bis(PEG2-NHS ester)
CAS: 2128735-29-3
CID: 129627657
Formula: C41H46N4O14
MW: 818.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight818.8
XLogP3-0.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count14
Rotatable Bond Count25
Exact Mass818.30105215
Monoisotopic Mass818.30105215
Topological Polar Surface Area205 Ų
Heavy Atom Count59
Formal Charge0
Complexity1490
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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