DBCO-PEG4-Val-Cit-PAB-MMAF - CAS 2244602-23-9

DBCO-PEG4-Val-Cit-PAB-MMAF - CAS 2244602-23-9 Catalog number: BADC-00863

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DBCO-PEG4-Val-Cit-PAB-MMAF consists a cleavable 4 unit PEG ADC linker (DBCO-PEG4-Val-Cit-PAB) and a potent tubulin polymerization inhibitor (MMAF). DBCO-PEG4-Val-Cit-PAB-MMAF can be used in the synthesis of antibody-drug conjugates (ADCs).

Category
ADCs Cytotoxin
Product Name
DBCO-PEG4-Val-Cit-PAB-MMAF
CAS
2244602-23-9
Catalog Number
BADC-00863
Molecular Formula
C88H126N12O20
Molecular Weight
1672.01

Ordering Information

Catalog Number Size Price Quantity
BADC-00863 -- $--
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Description
DBCO-PEG4-Val-Cit-PAB-MMAF consists a cleavable 4 unit PEG ADC linker (DBCO-PEG4-Val-Cit-PAB) and a potent tubulin polymerization inhibitor (MMAF). DBCO-PEG4-Val-Cit-PAB-MMAF can be used in the synthesis of antibody-drug conjugates (ADCs).
IUPAC Name
(2S)-2-[[(2R,3R)-3-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[(2S)-2-[[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]methoxycarbonyl-methylamino]-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methylpropanoyl]amino]-3-phenylpropanoic acid
Canonical SMILES
CCC(C)C(C(CC(=O)N1CCCC1C(C(C)C(=O)NC(CC2=CC=CC=C2)C(=O)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/C88H126N12O20/c1-14-59(8)79(71(114-12)53-75(104)99-43-23-31-70(99)80(115-13)60(9)81(105)94-68(86(110)111)52-61-24-16-15-17-25-61)97(10)85(109)77(57(4)5)96-84(108)78(58(6)7)98(11)88(113)120-55-62-32-36-66(37-33-62)92-82(106)67(29-22-41-91-87(89)112)93-83(107)76(56(2)3)95-73(102)40-44-116-46-48-118-50-51-119-49-47-117-45-42-90-72(101)38-39-74(103)100-54-65-28-19-18-26-63(65)34-35-64-27-20-21-30-69(64)100/h15-21,24-28,30,32-33,36-37,56-60,67-68,70-71,76-80H,14,22-23,29,31,38-55H2,1-13H3,(H,90,101)(H,92,106)(H,93,107)(H,94,105)(H,95,102)(H,96,108)(H,110,111)(H3,89,91,112)/t59-,60+,67-,68-,70-,71+,76-,77-,78-,79-,80+/m0/s1
Solubility
10 mm in DMSO
Appearance
Solid
Purity
>98.0%
Shelf Life
0-4°C for short term (days to weeks), or -20°C for long term (months).
Shipping
Room temperature, or blue ice upon request.
Storage
Store at -20 °C, keep in dry and avoid sunlight.
Form
Solid

DBCO-PEG4-Val-Cit-PAB-MMAF is a complex molecule used primarily in the field of targeted cancer therapy. Here are some key applications of DBCO-PEG4-Val-Cit-PAB-MMAF:

Antibody-Drug Conjugates (ADCs): DBCO-PEG4-Val-Cit-PAB-MMAF is frequently used in the synthesis of ADCs, which are engineered to selectively deliver cytotoxic drugs to cancer cells. The Val-Cit linker is cleavable, enabling the release of MMAF, a potent antimitotic agent, once inside cancer cells. This specificity minimizes off-target effects and enhances the therapeutic index.

Cellular Internalization Studies: Researchers use DBCO-PEG4-Val-Cit-PAB-MMAF to investigate cellular uptake mechanisms of conjugated molecules. By tagging this compound to targeting ligands or antibodies, scientists can track and evaluate the efficiency of cellular internalization and intracellular trafficking. These studies are essential for optimizing the design of targeted therapies.

Proteomics Research: DBCO-PEG4-Val-Cit-PAB-MMAF can be employed in proteomics to study protein expression, post-translational modifications, and protein-protein interactions. The DBCO group allows for bioorthogonal conjugation to azide-tagged proteins, facilitating the isolation and analysis of specific proteins within complex biological systems. This approach is vital for mapping cellular pathways and identifying novel drug targets.

Controlled Drug Release: The molecule’s Val-Cit linker can be utilized to create controlled drug release systems. In drug delivery research, DBCO-PEG4-Val-Cit-PAB-MMAF can be conjugated to nanoparticles or other carriers, ensuring that the drug is released only in the target environment. This targeted release mechanism improves drug efficacy and reduces systemic toxicity, enhancing the safety profile of therapeutic interventions.

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

Historical Records: DBCO-PEG4-Val-Cit-PAB-MMAF
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