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Tetrazine-SS-Biotin

CAT: 0804-HY-136031-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-136031-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Tetrazine-SS-Biotin is a cleavable ADC linker used in the synthesis of antibody-drug conjugates (ADCs) [1]. Tetrazine-SS-Biotin is a click chemistry reagent, it contains a Tetrazine group that can undergo an inverse electron demand Diels-Alder reaction (iEDDA) with molecules containing TCO groups.
CAS Number
2123482-78-8
UNSPSC
12352203
Hazard Statement
H302, H315, H319, H335
Target
ADC Linker
Related Pathways
Antibody-drug Conjugate/ADC Related
Applications
Cancer-programmed cell death
Field of Research
Cancer
Purity
96.12
Solubility
DMSO : 125 mg/mL (ultrasonic)
Smiles
O=C(NCCSSCCC(NCC1=CC=C(C2=NN=CN=N2)C=C1)=O)CCCC[C@@H]3SC[C@]([C@]3([H])N4)([H])NC4=O
Molecular Formula
C24H32N8O3S3
Molecular Weight
576.76
Precautions
H302, H315, H319, H335
References & Citations
[1]Beck A, et al. Strategies and challenges for the next generation of antibody-drug conjugates. Nat Rev Drug Discov. 2017 May;16 (5) :315-337.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
ADC Related
Clinical Information
No Development Reported
Isoform
Cleavable Linker; Disulfide Cleavable Linker

Chemical Information

Tetrazine-SS-Biotin
CAS Number2123482-78-8
PubChem CID146026210
IUPAC Name5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[[3-oxo-3-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methylamino]propyl]disulfanyl]ethyl]pentanamide
Molecular FormulaC24H32N8O3S3
Molecular Weight576.8
XLogP-0.1
Topological Polar Surface Area227
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count15
Heavy Atom Count38
Formal Charge0
Complexity768
SMILES
C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCSSCCC(=O)NCC3=CC=C(C=C3)C4=NN=CN=N4)NC(=O)N2
InChI
InChI=1S/C24H32N8O3S3/c33-20(4-2-1-3-19-22-18(14-36-19)29-24(35)30-22)25-10-12-38-37-11-9-21(34)26-13-16-5-7-17(8-6-16)23-31-27-15-28-32-23/h5-8,15,18-19,22H,1-4,9-14H2,(H,25,33)(H,26,34)(H2,29,30,35)/t18-,19-,22-/m0/s1
InChIKey
DNUZQOORFCMFKQ-IPJJNNNSSA-N
Chemical Structure
2D Structure
2D structure of Tetrazine-SS-Biotin
CAS: 2123482-78-8
CID: 146026210
Formula: C24H32N8O3S3
MW: 576.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight576.8
XLogP3-0.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count15
Exact Mass576.17595043
Monoisotopic Mass576.17595043
Topological Polar Surface Area227 Ų
Heavy Atom Count38
Formal Charge0
Complexity768
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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BA2568-10Tetrazine-SS-Biotin
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T18803-01Tetrazine-SS-NHS
T87797-01Tetrazine-Ph-SS-amine
MBS5771651Tetrazine-PEG4-SS-Py
T18791-01Tetrazine-PEG4-SS-NHS
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