Biotin-PEG2-azide

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Biotin-PEG2-azide

Biotin-PEG2-azide | 945633-30-7

Catalog Number R14-0003
Category Azides
Molecular Formula C₁₆H₂₈N₆O₄S
Molecular Weight 400.50
Catalog Number Size Price Quantity
R14-0003 -- $--

Product Introduction

Biotin-PEG2-CH2CH2N3 is a polyethylene glycol (PEG)-based PROTAC linker. Biotin-PEG2-CH2CH2N3 can be used in the synthesis of a series of PROTACs.

Chemical Information

Synonyms Biotin-PEG3-Azide;(+)-Biotin-PEG2-CH2CH2N3; Biotin-PEG2-CH2CH2N3
Purity >97%
IUPAC Name 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-(2-azidoethoxy)ethoxy]ethyl]pentanamide
Canonical SMILES C1C2C(C(S1)CCCCC(=O)NCCOCCOCCN=[N+]=[N-])NC(=O)N2
InChI InChI=1S/C16H28N6O4S/c17-22-19-6-8-26-10-9-25-7-5-18-14(23)4-2-1-3-13-15-12(11-27-13)20-16(24)21-15/h12-13,15H,1-11H2,(H,18,23)(H2,20,21,24)/t12-,13-,15-/m0/s1
InChI Key OVEZMVONEJMGLZ-YDHLFZDLSA-N
Solubility Soluble in DMF, DMSO, moderately Soluble in water
Appearance White Solid
  • Product Specification
Storage Powder, -20°C, 3 years; 4°C, 2 years; In solvent, -80°C, 6 months; -20°C, 1 month

Computed Properties

XLogP3 0.7
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 14
Exact Mass 400.18927457 g/mol
Monoisotopic Mass 400.18927457 g/mol
Topological Polar Surface Area 128Ų
Heavy Atom Count 27
Formal Charge 0
Complexity 531
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

Patents

Publication NumberTitlePriority Date
WO-2022272307-A1 Bifunctional folate receptor binding compounds 2021-06-24
WO-2022150721-A1 Bifunctional folate receptor binding compounds 2021-01-08
CA-3068146-A1 Heterochromatin gene repression inhibitors 2017-06-30
EP-3645006-A1 Heterochromatin gene repression inhibitors 2017-06-30
KR-20200035029-A Heterochromatin gene inhibition inhibitor 2017-06-30
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