MMAD

• CAT Number: I002573
• CAS Number: 203849-91-6
• Molecular Formula: C41H66N6O6S
• Molecular Weight: 771.06
• Purity: ≥95%
• Target: Microtubule/Tubulin
• Solubility: DMSO: ≥ 24.5 mg/mL
• Storage: Store at -20°C
• IUPAC Name: (2S)-N-[(2S)-1-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-3-methyl-2-(methylamino)butanamide
• InChI: InChI=1S/C41H66N6O6S/c1-12-27(6)36(46(9)41(51)35(26(4)5)45-39(50)34(42-8)25(2)3)32(52-10)24-33(48)47-21-16-19-31(47)37(53-11)28(7)38(49)44-30(40-43-20-22-54-40)23-29-17-14-13-15-18-29/h13-15,17-18,20,22,25-28,30-32,34-37,42H,12,16,19,21,23-24H2,1-11H3,(H,44,49)(H,45,50)/t27-,28+,30-,31-,32+,34-,35-,36-,37+/m0/s1
• InChIKey: BLUGYPPOFIHFJS-UUFHNPECSA-N
• SMILES: CCC(C)C(C(CC(=O)N1CCCC1C(C(C)C(=O)NC(CC2=CC=CC=C2)C3=NC=CS3)OC)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)NC

Monomethyl auristatin D (Cat No.:I002573) is a potent inhibitor of tubulin, a protein critical for cell division. MMAD is utilized as a toxin payload in antibody-drug conjugates (ADCs), a class of targeted cancer therapies. In ADCs, MMAD is conjugated to an antibody that specifically recognizes cancer cells, allowing for targeted delivery of the cytotoxic agent. Once internalized by cancer cells, MMAD disrupts tubulin function, leading to cell cycle arrest and ultimately cell death.

Reference

1:Bioinformatics. 2014 Mar 1;30(5):682-9. doi: 10.1093/bioinformatics/btt566. Epub 2013 Oct 1. MMAD: microarray microdissection with analysis of differences is a computational tool for deconvoluting cell type-specific contributions from tissue samples.Liebner DA,Huang K,Parvin JD, PMID: 24085566 PMCID: PMC3933869 DOI: 10.1093/bioinformatics/btt566 Abstract: BACKGROUND: One of the significant obstacles in the development of clinically relevant microarray-derived biomarkers and classifiers is tissue heterogeneity. Physical cell separation techniques, such as cell sorting and laser-capture microdissection, can enrich samples for cell types of interest, but are costly, labor intensive and can limit investigation of important interactions between different cell types.RESULTS: We developed a new computational approach, called microarray microdissection with analysis of differences (MMAD), which performs microdissection in silico. Notably, MMAD (i) allows for simultaneous estimation of cell fractions and gene expression profiles of contributing cell types, (ii) adjusts for microarray normalization bias, (iii) uses the corrected Akaike information criterion during model optimization to minimize overfitting and (iv) provides mechanisms for comparing gene expression and cell fractions between samples in different classes. Computational microdissection of simulated and experimental tissue mixture datasets showed tight correlations between predicted and measured gene expression of pure tissues as well as tight correlations between reported and estimated cell fraction for each of the individual cell types. In simulation studies, MMAD showed superior ability to detect differentially expressed genes in mixed tissue samples when compared with standard metrics, including both significance analysis of microarrays and cell type-specific significance analysis of microarrays.CONCLUSIONS: We have developed a new computational tool called MMAD, which is capable of performing robust tissue microdissection in silico, and which can improve the detection of differentially expressed genes. MMAD software as implemented in MATLAB is publically available for download at http://sourceforge.net/projects/mmad/.