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DBCO-Peg4-VC-PAB-MMAE

  CAS No.: 2129164-91-4   Cat No.: BADC-01536 4.5  

DBCO-Peg4-VC-PAB-MMAE is a click chemistry-enabled ADC linker-payload featuring a PEG spacer and valine-citrulline cleavable linker with MMAE toxin, designed for bioorthogonal conjugation and efficient drug release in ADC therapies. Keywords: click chemistry, PEG linker, MMAE payload, ADC drug delivery.

DBCO-Peg4-VC-PAB-MMAE

Structure of 2129164-91-4

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Category
ADC Cytotoxin with Linker
Molecular Formula
C88H128N12O19
Molecular Weight
1658.03

* For research and manufacturing use only. We do not sell to patients.

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Synonyms
DBCO-PEG4-VC-PAB-MMAE; DBCO-PEG4-Val-Cit-PAB-MMAE
IUPAC Name
[4-[[(2S)-2-[[(2S)-2-[3-[2-[2-[2-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]phenyl]methyl N-[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-N-methylcarbamate
Canonical SMILES
CCC(C)C(C(CC(=O)N1CCCC1C(C(C)C(=O)NC(C)C(C2=CC=CC=C2)O)OC)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)N(C)C(=O)OCC3=CC=C(C=C3)NC(=O)C(CCCNC(=O)N)NC(=O)C(C(C)C)NC(=O)CCOCCOCCOCCOCCNC(=O)CCC(=O)N4CC5=CC=CC=C5C#CC6=CC=CC=C64
InChI
InChI=1S/C88H128N12O19/c1-15-59(8)79(71(113-13)53-75(104)99-44-24-32-70(99)81(114-14)60(9)82(106)92-61(10)80(105)65-27-17-16-18-28-65)97(11)86(110)77(57(4)5)96-85(109)78(58(6)7)98(12)88(112)119-55-62-33-37-67(38-34-62)93-83(107)68(30-23-42-91-87(89)111)94-84(108)76(56(2)3)95-73(102)41-45-115-47-49-117-51-52-118-50-48-116-46-43-90-72(101)39-40-74(103)100-54-66-29-20-19-25-63(66)35-36-64-26-21-22-31-69(64)100/h16-22,25-29,31,33-34,37-38,56-61,68,70-71,76-81,105H,15,23-24,30,32,39-55H2,1-14H3,(H,90,101)(H,92,106)(H,93,107)(H,94,108)(H,95,102)(H,96,109)(H3,89,91,111)/t59-,60+,61+,68-,70-,71+,76-,77-,78-,79-,80+,81+/m0/s1
InChIKey
LJJUBMUNOGZMDD-UDEUCFDSSA-N

DBCO-Peg4-VC-PAB-MMAE, a sophisticated molecule utilized primarily in targeted cancer therapy, boasts a myriad of crucial applications. Here are four key applications:

Antibody-Drug Conjugates (ADCs): At the forefront of cancer therapeutics, DBCO-Peg4-VC-PAB-MMAE plays a pivotal role in the development of ADCs, acting as a potent cytotoxic payload. These ADCs are designed with antibodies that specifically target cancer cells, ensuring precise delivery of the cytotoxic agent to the tumor site. This targeted precision minimizes harm to healthy cells and elevates the therapeutic efficacy of cancer treatments.

Tumor Ablation: Employed in the eradication of cancerous tissues, DBCO-Peg4-VC-PAB-MMAE induces apoptosis in malignant cells. Once infiltrating tumor cells, the MMAE component disrupts microtubule networks, causing cell cycle arrest and eventual cell death. This mechanism proves particularly efficacious in addressing various lymphomas and solid tumors, offering a potent treatment strategy.

Bioconjugation Studies: Leveraging the DBCO moiety within DBCO-Peg4-VC-PAB-MMAE, researchers conduct bioconjugation reactions to link the molecule with peptides or proteins. This click chemistry methodology facilitates precise and stable conjugation of molecules, enhancing the development of advanced therapeutic and diagnostic agents. The incorporation of the PEG4 spacer bolsters the solubility and stability of the conjugates, thereby amplifying their biological functionality.

Preclinical Cancer Research: Vital for validating the efficacy and safety of novel cancer treatments, DBCO-Peg4-VC-PAB-MMAE shines in preclinical cancer research. Researchers delve into its pharmacokinetics, biodistribution, and therapeutic potential in animal models, laying the groundwork for optimizing ADC formulations and propelling them towards clinical trials, marking a significant stride in cancer research and treatment innovation.

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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