Azido-PEG4-Val-Cit-PAB-OH

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Azido-PEG4-Val-Cit-PAB-OH

Azido-PEG4-Val-Cit-PAB-OH | 2055024-64-9

Catalog Number R14-0027
Category Azides
Molecular Formula C29H48N8O9
Molecular Weight 652.74
Catalog Number Size Price Quantity
R14-0027 -- $--

Chemical Information

Synonyms 1-azido-N-((S)-1-(((S)-1-((4-(hydroxymethyl)phenyl)amino)-1-oxo-5-ureidopentan-2-yl)amino)-3-methyl-1-oxobutan-2-yl)-3,6,9,12-tetraoxapentadecan-15-amide
Purity >98.0%
Shelf Life 0-4°C for short term (days to weeks), or -20°C for long term (months).
Canonical SMILES CC(C)C(C(=O)NC(CCCNC(=O)N)C(=O)NC1=CC=C(C=C1)CO)NC(=O)CCOCCOCCOCCOCCN=[N+]=[N-]
InChI InChI=1S/C29H48N8O9/c1-21(2)26(36-25(39)9-12-43-14-16-45-18-19-46-17-15-44-13-11-33-37-31)28(41)35-24(4-3-10-32-29(30)42)27(40)34-23-7-5-22(20-38)6-8-23/h5-8,21,24,26,38H,3-4,9-20H2,1-2H3,(H,34,40)(H,35,41)(H,36,39)(H3,30,32,42)/t24-,26-/m0/s1
InChI Key AXRCLOURQJMPLC-AHWVRZQESA-N
Solubility 10 mm in DMSO
Appearance Solid
  • Product Specification
  • Application
Storage -20°C

Azido-PEG4-Val-Cit-PAB-OH is a bifunctional linker used in the development of antibody-drug conjugates (ADCs) and other targeted therapeutic strategies. Here are some key applications of Azido-PEG4-Val-Cit-PAB-OH:

Antibody-Drug Conjugates (ADCs): Azido-PEG4-Val-Cit-PAB-OH is utilized in the synthesis of ADCs, which are designed to deliver cytotoxic drugs specifically to cancer cells. The azido group allows for bioorthogonal click chemistry reactions, facilitating the attachment of therapeutic agents to antibodies. This results in enhanced specificity and reduced off-target toxicity of cancer treatments.

Targeted Drug Delivery: The linker can be employed to create targeted drug delivery systems by attaching therapeutic molecules to ligands that specifically bind to receptors on diseased cells. The Val-Cit dipeptide is a protease-cleavable moiety, ensuring that the drug is released only within the target cell’s microenvironment. This targeted approach enhances the efficacy and safety profile of pharmaceuticals.

Bioorthogonal Chemistry: Azido-PEG4-Val-Cit-PAB-OH is widely used in bioorthogonal chemistry applications, allowing researchers to label, track, and manipulate biomolecules in complex biological systems without interfering with native biochemical processes. The use of PEG (polyethylene glycol) imparts water solubility and biocompatibility to the conjugated molecules. This technique is invaluable for studying biological processes in real-time and in vivo.

Drug Development: The versatility of Azido-PEG4-Val-Cit-PAB-OH makes it an important tool in early-stage drug development, enabling the conjugation of various bioactive molecules for high-throughput screening. It helps in evaluating the efficacy, stability, and pharmacokinetics of potential drug candidates. This linker aids in the design of novel therapeutics with improved delivery and targeting capabilities.

Computed Properties

XLogP3 0
Hydrogen Bond Donor Count 6
Hydrogen Bond Acceptor Count 11
Rotatable Bond Count 26
Exact Mass 652.35442514 g/mol
Monoisotopic Mass 652.35442514 g/mol
Topological Polar Surface Area 214Ų
Heavy Atom Count 46
Formal Charge 0
Complexity 928
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
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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