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Azido-PEG4-Val-Cit-PAB-OH | CAS 2055024-64-9
| Catalog Number | R14-0027 |
| Category | Azides |
| Molecular Formula | C29H48N8O9 |
| Molecular Weight | 652.74 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
Chemical Information
Product Specification
Application
Computed Properties
| 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). |
| IUPAC Name | |
| 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 |
| InChIKey | AXRCLOURQJMPLC-AHWVRZQESA-N |
| Solubility | 10 mm in DMSO |
| Appearance | Solid |
| 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.
| 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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