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TCO-PEG2-Sulfo-NHS ester

CAT: 0013-GTR19224904-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19224904-01Size:100 mg
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Description
TCO-PEG2-Sulfo-NHS ester is a heterobifunctional linker used in constructing PROTAC molecules for targeted protein degradation research. Its water-soluble sulfo-NHS ester and TCO groups enable efficient bioconjugation under physiological conditions, facilitating the development of degraders for both in vitro and in vivo applications.
CAS Number
2353409-48-8
Field of Research
Metabolism Research, Pharmacology & Drug Discovery
Smiles
CCNC (=O) NCCCN (C) C.OS (=O) (=O) C1CC (=O) N (OC (=O) CCOCCOCCNC (=O) OC2CCCC=CCC2) C1=O |w:41.40|
Molecular Formula
C28H49N5O12S
Molecular Weight
679.78
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

TCO-PEG2-Sulfo-NHS ester
CAS Number2353409-48-8
PubChem CID146026016
IUPAC Name1-[3-[2-[2-[[(4Z)-cyclooct-4-en-1-yl]oxycarbonylamino]ethoxy]ethoxy]propanoyloxy]-2,5-dioxopyrrolidine-3-sulfonic acid;1-[3-(dimethylamino)propyl]-3-ethylurea
Molecular FormulaC28H49N5O12S
Molecular Weight679.8
Topological Polar Surface Area228
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count13
Rotatable Bond Count19
Heavy Atom Count46
Formal Charge0
Complexity979
SMILES
CCNC(=O)NCCCN(C)C.C1C/C=C\CCC(C1)OC(=O)NCCOCCOCCC(=O)ON2C(=O)CC(C2=O)S(=O)(=O)O
InChI
InChI=1S/C20H30N2O11S.C8H19N3O/c23-17-14-16(34(27,28)29)19(25)22(17)33-18(24)8-10-30-12-13-31-11-9-21-20(26)32-15-6-4-2-1-3-5-7-15;1-4-9-8(12)10-6-5-7-11(2)3/h1-2,15-16H,3-14H2,(H,21,26)(H,27,28,29);4-7H2,1-3H3,(H2,9,10,12)/b2-1-;
InChIKey
YNSGTSDZEFXCER-ODZAUARKSA-N
Chemical Structure
2D Structure
2D structure of TCO-PEG2-Sulfo-NHS ester
CAS: 2353409-48-8
CID: 146026016
Formula: C28H49N5O12S
MW: 679.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight679.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count13
Rotatable Bond Count19
Exact Mass679.30984319
Monoisotopic Mass679.30984319
Topological Polar Surface Area228 Ų
Heavy Atom Count46
Formal Charge0
Complexity979
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

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