Biotin-PEG4-methyltetrazine | 1835759-81-3
Catalog Number | R08-0031 |
Category | Tetrazines |
Molecular Formula | C₂₇H₃₉N₇O₆S |
Molecular Weight | 589.71 |
Catalog Number | Size | Price | Quantity |
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R08-0031 | -- | $-- |
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Product Introduction
Biotin-PEG4-methyltetrazine is a polyethylene glycol (PEG)-based PROTAC linker. Biotin-PEG4-methyltetrazine can be used in the synthesis of a series of PROTACs.
Chemical Information |
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Purity | 95% |
IUPAC Name | 5-[(3aR,4R,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-[2-[2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide |
Canonical SMILES | CC1=NN=C(N=N1)C2=CC=C(C=C2)OCCOCCOCCOCCNC(=O)CCCCC3C4C(CS3)NC(=O)N4 |
InChI | InChI=1S/C27H39N7O6S/c1-19-31-33-26(34-32-19)20-6-8-21(9-7-20)40-17-16-39-15-14-38-13-12-37-11-10-28-24(35)5-3-2-4-23-25-22(18-41-23)29-27(36)30-25/h6-9,22-23,25H,2-5,10-18H2,1H3,(H,28,35)(H2,29,30,36)/t22-,23-,25-/m1/s1 |
InChI Key | FTGDGKKLLGMCLG-VDKIKQQVSA-N |
Solubility | In DMSO: 50 mg/mL (84.79 mM; Need ultrasonic) |
- Product Specification
Storage | 4°C, sealed storage, away from moisture; In solvent, -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture) |
Computed Properties | |
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XLogP3 | 0.1 |
Hydrogen Bond Donor Count | 3 |
Hydrogen Bond Acceptor Count | 11 |
Rotatable Bond Count | 19 |
Exact Mass | 589.26825316 g/mol |
Monoisotopic Mass | 589.26825316 g/mol |
Topological Polar Surface Area | 184Ų |
Heavy Atom Count | 41 |
Formal Charge | 0 |
Complexity | 770 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 3 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
Applications of Fluorescent Probes & Dyes
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