Azido-PEG5-Ala-Ala-Asn-PAB

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Azido-PEG5-Ala-Ala-Asn-PAB

Azido-PEG5-Ala-Ala-Asn-PAB | 2055048-54-7

Catalog Number R14-0029
Category Azides
Molecular Formula C30H47N7O12
Molecular Weight 697.73
Catalog Number Size Price Quantity
R14-0029 -- $--

Product Introduction

Azido-PEG5-Ala-Ala-Asn-PAB is a cleavable 5 unit PEG ADC linker used in the synthesis of antibody-drug conjugates (ADCs).

Chemical Information

Synonyms (S)-2-((20S,23S)-1-azido-20,23-dimethyl-18,21-dioxo-3,6,9,12,15-pentaoxa-19,22-diazatetracosan-24-amido)-N1-(4-(hydroxymethyl)phenyl)succinamide
Purity >98.0%
Shelf Life 0-4°C for short term (days to weeks), or -20°C for long term (months).
IUPAC Name (2S)-2-[[(2S)-2-[[(2S)-2-[3-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]propanoyl]amino]propanoyl]amino]-N-[4-(hydroxymethyl)phenyl]butanediamide
Canonical SMILES CC(C(=O)NC(C)C(=O)NC(CC(=O)N)C(=O)NC1=CC=C(C=C1)CO)NC(=O)CCOCCOCCOCCOCCOCCN=[N+]=[N-]
InChI InChI=1S/C30H48N8O11/c1-21(34-27(41)7-9-45-11-13-47-15-17-49-18-16-48-14-12-46-10-8-33-38-32)28(42)35-22(2)29(43)37-25(19-26(31)40)30(44)36-24-5-3-23(20-39)4-6-24/h3-6,21-22,25,39H,7-20H2,1-2H3,(H2,31,40)(H,34,41)(H,35,42)(H,36,44)(H,37,43)/t21-,22-,25-/m0/s1
InChI Key OKDSKCFISZTBMN-HWBMXIPRSA-N
Solubility 10 mm in DMSO
Appearance Solid
  • Product Specification
Storage Store at -20 °C, keep in dry and avoid sunlight.

Computed Properties

XLogP3 -2
Hydrogen Bond Donor Count 6
Hydrogen Bond Acceptor Count 13
Rotatable Bond Count 28
Exact Mass 696.34425438 g/mol
Monoisotopic Mass 696.34425438 g/mol
Topological Polar Surface Area 240Ų
Heavy Atom Count 49
Formal Charge 0
Complexity 1040
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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