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TCO-PEG4-biotin

CAT: 0804-HY-141183Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-141183Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
TCO-PEG4-biotin is a PEG-based PROTAC linker can be used in the synthesis of PROTACs[1]. TCO-PEG4-biotin is a click chemistry reagent, it contains a TCO group that can undergo an inverse electron demand Diels-Alder reaction (iEDDA) with molecules containing Tetrazine groups.
CAS Number
2183440-30-2
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
PROTAC Linkers
Type
Reference compound
Related Pathways
PROTAC
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/tco-peg4-biotin.html
Purity
93.91
Solubility
10 mM in DMSO
Smiles
O=C(OC1CC/C=C\CCC1)NCCOCCOCCOCCOCCNC(CCCC[C@@H]2SC[C@]([C@]2([H])N3)([H])NC3=O)=O
Molecular Formula
C29H50N4O8S
Molecular Weight
614.79
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
References & Citations
[1]Wang Y, et al. Degradation of proteins by PROTACs and other strategies. Acta Pharm Sin B. 2020 Feb;10 (2) :207-238.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
PEG Linkers

Chemical Information

CID 146026027
CAS Number2183440-30-2
PubChem CID146026027
IUPAC Name[(4Z)-cyclooct-4-en-1-yl] N-[2-[2-[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
Molecular FormulaC29H50N4O8S
Molecular Weight614.8
XLogP1.5
Topological Polar Surface Area171
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count22
Heavy Atom Count42
Formal Charge0
Complexity821
SMILES
C1C/C=C\CCC(C1)OC(=O)NCCOCCOCCOCCOCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3
InChI
InChI=1S/C29H50N4O8S/c34-26(11-7-6-10-25-27-24(22-42-25)32-28(35)33-27)30-12-14-37-16-18-39-20-21-40-19-17-38-15-13-31-29(36)41-23-8-4-2-1-3-5-9-23/h1-2,23-25,27H,3-22H2,(H,30,34)(H,31,36)(H2,32,33,35)/b2-1-/t23?,24-,25-,27-/m0/s1
InChIKey
OADGBCNDNVFPDA-MSCWDKBPSA-N
Chemical Structure
2D Structure
2D structure of CID 146026027
CAS: 2183440-30-2
CID: 146026027
Formula: C29H50N4O8S
MW: 614.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight614.8
XLogP31.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count22
Exact Mass614.33493574
Monoisotopic Mass614.33493574
Topological Polar Surface Area171 Ų
Heavy Atom Count42
Formal Charge0
Complexity821
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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