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Me-Tet-PEG2-COOH

CAT: 0804-HY-156475Size: 1 EachDry Ice: NoHazardous: No
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Description
Me-Tet-PEG2-COOH is an ADC Linker containing 2 PEG units. Me-Tet-PEG2-COOH can use its own Tetrazine group to undergo a specific inverse electron demand Diels-Alder reaction (iEDDA) with compounds with TCO groups.
CAS Number
2741759-99-7
UNSPSC
12352203
Target
ADC Linker
Type
ADC Related
Related Pathways
Antibody-drug Conjugate/ADC Related
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/me-tet-peg2-cooh.html
Solubility
10 mM in DMSO
Smiles
O=C(CCOCCOCCC(NCC1=CC=C(C2=NN=C(C)N=N2)C=C1)=O)O
Molecular Formula
C18H23N5O5
Molecular Weight
389.41
Shipping Conditions
Room temperature
Scientific Category
ADC Related
Clinical Information
No Development Reported

Chemical Information

Me-Tet-PEG2-COOH
CAS Number2741759-99-7
PubChem CID138454890
IUPAC Name3-[2-[3-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methylamino]-3-oxopropoxy]ethoxy]propanoic acid
Molecular FormulaC18H23N5O5
Molecular Weight389.4
XLogP-1.1
Topological Polar Surface Area136
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count12
Heavy Atom Count28
Formal Charge0
Complexity465
SMILES
CC1=NN=C(N=N1)C2=CC=C(C=C2)CNC(=O)CCOCCOCCC(=O)O
InChI
InChI=1S/C18H23N5O5/c1-13-20-22-18(23-21-13)15-4-2-14(3-5-15)12-19-16(24)6-8-27-10-11-28-9-7-17(25)26/h2-5H,6-12H2,1H3,(H,19,24)(H,25,26)
InChIKey
FLJWYRUCTSWYAU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Me-Tet-PEG2-COOH
CAS: 2741759-99-7
CID: 138454890
Formula: C18H23N5O5
MW: 389.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight389.4
XLogP3-1.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count12
Exact Mass389.16991885
Monoisotopic Mass389.16991885
Topological Polar Surface Area136 Ų
Heavy Atom Count28
Formal Charge0
Complexity465
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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