MC-Val-Cit-PAB-MMAE - CAS 646502-53-6

MC-Val-Cit-PAB-MMAE - CAS 646502-53-6 Catalog number: BADC-00029

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MC-Val-Cit-PAB-MMAE is a potent tubulin inhibitor (MMAE), Val-Cit-PAB-MMAE is an antibody drug conjugate.

Category
ADCs Cytotoxin
Product Name
MC-Val-Cit-PAB-MMAE
CAS
646502-53-6
Catalog Number
BADC-00029
Molecular Formula
C68H105N11O15
Molecular Weight
1316.63
MC-Val-Cit-PAB-MMAE

Ordering Information

Catalog Number Size Price Quantity
BADC-00029 1 mg $149
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Description
MC-Val-Cit-PAB-MMAE is a potent tubulin inhibitor (MMAE), Val-Cit-PAB-MMAE is an antibody drug conjugate.
Synonyms
VcMMAE; Maleimidocaproyl-valine-citrulline-p-aminobenzoyloxycarbonyl-monomethyl auristatin E; Vedotin
IUPAC Name
[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-methylbutanoyl]amino]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)CCCCCN4C(=O)C=CC4=O
InChI
InChI=1S/C68H105N11O15/c1-15-43(8)59(51(92-13)38-55(83)78-37-23-27-50(78)61(93-14)44(9)62(85)71-45(10)60(84)47-24-18-16-19-25-47)76(11)66(89)57(41(4)5)75-65(88)58(42(6)7)77(12)68(91)94-39-46-29-31-48(32-30-46)72-63(86)49(26-22-35-70-67(69)90)73-64(87)56(40(2)3)74-52(80)28-20-17-21-36-79-53(81)33-34-54(79)82/h16,18-19,24-25,29-34,40-45,49-51,56-61,84H,15,17,20-23,26-28,35-39H2,1-14H3,(H,71,85)(H,72,86)(H,73,87)(H,74,80)(H,75,88)(H3,69,70,90)/t43-,44+,45+,49-,50-,51+,56-,57-,58-,59-,60+,61+/m0/s1
InChIKey
NLMBVBUNULOTNS-HOKPPMCLSA-N
Sequence
VXXVV
Density
1.2±0.1 g/cm3
Solubility
Soluble to 980 mg/ml (744 mm) in DMSO, 1000 mg/ml (760 mm) in ethanol, not soluble in water
Flash Point
768.8±34.3 °C
Index Of Refraction
1.556
LogP
6.04
Vapour Pressure
0.0±0.3 mmHg at 25°C
Appearance
Solid Powder
Purity
>98%
Shelf Life
≥360 days if stored properly
Shipping
Room temperature, or blue ice upon request.
Pictograms
Irritant; Acute Toxic
Signal Word
Danger
Boiling Point
1347.6±65.0 °C at 760 mmHg
1.Cathepsin B Cleavage of vcMMAE-Based Antibody-Drug Conjugate Is Not Drug Location or Monoclonal Antibody Carrier Specific.
Gikanga B1, Adeniji NS1, Patapoff TW1, Chih HW1, Yi L1. Bioconjug Chem. 2016 Apr 20;27(4):1040-9. doi: 10.1021/acs.bioconjchem.6b00055. Epub 2016 Mar 10.
Antibody-drug conjugates (ADCs) require thorough characterization and understanding of product quality attributes. The framework of many ADCs comprises one molecule of antibody that is usually conjugated with multiple drug molecules at various locations. It is unknown whether the drug release rate from the ADC is dependent on drug location, and/or local environment, dictated by the sequence and structure of the antibody carrier. This study addresses these issues with valine-citrulline-monomethylauristatin E (vc-MMAE)-based ADC molecules conjugated at reduced disulfide bonds, by evaluating the cathepsin B catalyzed drug release rate of ADC molecules with different drug distributions or antibody carriers. MMAE drug release rates at different locations on ADC I were compared to evaluate the impact of drug location. No difference in rates was observed for drug released from the VH, VL, or CH2 domains of ADC I. Furthermore, four vc-MMAE ADC molecules were chosen as substrates for cathepsin B for evaluation of Michaelis-Menten parameters.

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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