Biotin-PEG4-methyltetrazine

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Biotin-PEG4-methyltetrazine

Biotin-PEG4-methyltetrazine | 1835759-81-3

Catalog Number R08-0031
Category Tetrazines
Molecular Formula C₂₇H₃₉N₇O₆S
Molecular Weight 589.71
Catalog Number Size Price Quantity
R08-0031 -- $--

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

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

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
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