Mal-PEG4-VC-PAB-EDA-PNU159682 - CAS 2571582-15-3

Mal-PEG4-VC-PAB-EDA-PNU159682 - CAS 2571582-15-3 Catalog number: BADC-01409

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Mal-PEG4-VC-PAB-EDA-PNU159682 is a thiol-reactive drug-linker conjugate used in the synthesis of antibody-drug conjugates (ADCs).

Category
ADCs Cytotoxin with Linkers
Product Name
Mal-PEG4-VC-PAB-EDA-PNU159682
CAS
2571582-15-3
Catalog Number
BADC-01409
Molecular Formula
C67H87N9O24
Molecular Weight
1402.46
Mal-PEG4-VC-PAB-EDA-PNU159682

Ordering Information

Catalog Number Size Price Quantity
BADC-01409 -- $-- Inquiry
Description
Mal-PEG4-VC-PAB-EDA-PNU159682 is a thiol-reactive drug-linker conjugate used in the synthesis of antibody-drug conjugates (ADCs).
IUPAC Name
4-((17S,20S)-1-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-17-isopropyl-15,18-dioxo-20-(3-ureidopropyl)-3,6,9,12-tetraoxa-16,19-diazahenicosan-21-amido)benzyl (2-((2S,4S)-2,5,12-trihydroxy-7-methoxy-4-(((1S,3R,4aS,9S,9aR,10aS)-9-methoxy-1-methyloctahydro-1H-pyrano[4',3':4,5]oxazolo[2,3-c][1,4]oxazin-3-yl)oxy)-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-2-carboxamido)ethyl)carbamate
Canonical SMILES
O=C(OCC1=CC=C(C=C1)NC(=O)C(NC(=O)C(NC(=O)CCOCCOCCOCCOCCN2C(=O)C=CC2=O)C(C)C)CCCNC(=O)N)NCCNC(=O)C3(O)CC4=C(O)C=5C(=O)C=6C=CC=C(OC)C6C(=O)C5C(O)=C4C(OC7OC(C)C8OC9N(CCOC9OC)C8C7)C3
InChI
InChI=1S/C67H87N9O24/c1-36(2)54(74-46(77)17-23-92-26-28-94-30-31-95-29-27-93-24-21-76-47(78)15-16-48(76)79)61(85)73-42(9-7-18-70-65(68)87)60(84)72-39-13-11-38(12-14-39)35-97-66(88)71-20-19-69-64(86)67(89)33-41-51(58(83)53-52(56(41)81)55(80)40-8-6-10-44(90-4)50(40)57(53)82)45(34-67)99-49-32-43-59(37(3)98-49)100-62-63(91-5)96-25-22-75(43)62/h6,8,10-16,36-37,42-43,45,49,54,59,62-63,81,83,89H,7,9,17-35H2,1-5H3,(H,69,86)(H,71,88)(H,72,84)(H,73,85)(H,74,77)(H3,68,70,87)/t37-,42-,43-,45-,49-,54-,59+,62+,63-,67-/m0/s1
InChIKey
WFDCZYVWIMDIMR-IDEMFLOTSA-N
Density
1.45±0.1 g/cm3

Mal-PEG4-VC-PAB-EDA-PNU159682 is a specialized bioconjugation reagent used primarily in the development of antibody-drug conjugates (ADCs) and targeted therapies. The compound consists of a maleimide (Mal) group for conjugation with thiol-containing biomolecules, a polyethylene glycol (PEG4) spacer for solubility enhancement and pharmacokinetics improvement, and a VC-PAB-EDA linker for controlled release of the cytotoxic payload, PNU159682. PNU159682 is a potent antitumor agent that, when selectively delivered to cancer cells, can significantly increase therapeutic efficacy while minimizing systemic toxicity. The VC linker is cleaved by specific tumor-associated proteases, ensuring the selective release of the drug at the target site.

One of the key applications of Mal-PEG4-VC-PAB-EDA-PNU159682 is in the development of antibody-drug conjugates (ADCs) for cancer treatment. The maleimide group enables the attachment of monoclonal antibodies, which are designed to target specific tumor antigens. By linking PNU159682, a powerful cytotoxic agent, to these antibodies, the conjugate allows for selective delivery of the drug directly to the tumor cells. The PEG4 spacer improves the pharmacokinetics of the ADC by enhancing solubility and increasing circulation time in the bloodstream. The VC-PAB-EDA linker is cleaved by tumor-specific enzymes, triggering the release of PNU159682 exclusively in the tumor microenvironment, thus reducing off-target toxicity and enhancing the treatment’s therapeutic effect.

Mal-PEG4-VC-PAB-EDA-PNU159682 is also beneficial in designing targeted delivery systems for other therapeutic agents. The PEG4 spacer provides solubility and stability in biological systems, ensuring efficient distribution of the conjugate throughout the body. The controlled release mechanism via the VC-PAB-EDA linker allows for the targeted delivery of small molecules, nucleic acids, or gene therapies directly to diseased tissues, such as tumors, while avoiding systemic distribution. This feature makes it ideal for precision medicine, where drugs are selectively released at the disease site, ensuring optimal therapeutic outcomes and reducing unwanted side effects.

In addition to its role in targeted drug delivery, Mal-PEG4-VC-PAB-EDA-PNU159682 has applications in molecular imaging and diagnostic research. The maleimide group allows for easy conjugation with diagnostic antibodies or peptides, enabling specific targeting of disease biomarkers. The PEG4 spacer ensures the conjugate remains stable and soluble, while the VC-PAB-EDA linker can be used to release imaging agents or other therapeutic payloads in response to enzymatic cleavage. This makes it an excellent tool for imaging applications that require precise localization of disease sites, such as tumors, thereby enhancing the accuracy of diagnostic imaging and monitoring treatments.

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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