Cys-MC-VC-PAB-MMAE

Cys-MC-VC-PAB-MMAE Catalog number: BADC-01434

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Cys-MC-VC-PAB-MMAE is an ADC metabolite used in the synthesis of antibody-drug conjugates (ADCs).

Category
ADCs Cytotoxin with Linkers
Product Name
Cys-MC-VC-PAB-MMAE
Catalog Number
BADC-01434
Molecular Formula
C71H112N12O17S
Molecular Weight
1437.80
Cys-MC-VC-PAB-MMAE

Ordering Information

Catalog Number Size Price Quantity
BADC-01434 -- $-- Inquiry
Description
Cys-MC-VC-PAB-MMAE is an ADC metabolite used in the synthesis of antibody-drug conjugates (ADCs).
Synonyms
Cysteine-vc-MMAE; N-[6-(3-{[(2R)-2-Amino-2-carboxyethyl]sulfanyl}-2,5-dioxo-1-pyrrolidinyl)hexanoyl]-L-valyl-N-{4-[(5S,8S,11S,12R)-11-[(2S)-2-butanyl]-12-(2-{(2S)-2-[(1R,2R)-3-{[(1S,2R)-1-hydroxy-1-phenyl-2-propanyl]amino}-1-methoxy-2-methyl-3-oxopropyl]-1-pyrrolidinyl}-2-oxoethyl)-5,8-diisopropyl-4,10-dimethyl-3,6,9-trioxo-2,13-dioxa-4,7,10-triazatetradec-1-yl]phenyl}-N5-carbamoyl-L-ornithinamide; L-Ornithinamide, N-[6-[3-[[(2R)-2-amino-2-carboxyethyl]thio]-2,5-dioxo-1-pyrrolidinyl]-1-oxohexyl]-L-valyl-N5-(aminocarbonyl)-N-[4-[(5S,8S,11S,12R)-12-[2-[(2S)-2-[(1R,2R)-3-[[(1R,2S)-2-hydroxy-1-methyl-2-phenylethyl]amino]-1-methoxy-2-methyl-3-oxopropyl]-1-pyrrolidinyl]-2-oxoethyl]-4,10-dimethyl-5,8-bis(1-methylethyl)-11-[(1S)-1-methylpropyl]-3,6,9-trioxo-2,13-dioxa-4,7,10-triazatetradec-1-yl]phenyl]-; S-(1-(6-(((S)-1-(((S)-1-((4-(((((S)-1-(((S)-1-(((3R,4S,5S)-1-((S)-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)(methyl)amino)-3-methyl-1-oxobutan-2-yl)amino)-3-methyl-1-oxobutan-2-yl)(methyl)carbamoyl)oxy)methyl)phenyl)amino)-1-oxo-5-ureidopentan-2-yl)amino)-3-methyl-1-oxobutan-2-yl)amino)-6-oxohexyl)-2,5-dioxopyrrolidin-3-yl)-L-cysteine
IUPAC Name
(2R)-2-amino-3-[1-[6-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[[(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]-methylcarbamoyl]oxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoic acid
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)CC(C4=O)SCC(C(=O)O)N
InChI
InChI=1S/C71H112N12O17S/c1-15-43(8)60(52(98-13)36-55(85)82-35-23-27-51(82)62(99-14)44(9)63(88)75-45(10)61(87)47-24-18-16-19-25-47)80(11)68(93)58(41(4)5)79-66(91)59(42(6)7)81(12)71(97)100-38-46-29-31-48(32-30-46)76-64(89)50(26-22-33-74-70(73)96)77-65(90)57(40(2)3)78-54(84)28-20-17-21-34-83-56(86)37-53(67(83)92)101-39-49(72)69(94)95/h16,18-19,24-25,29-32,40-45,49-53,57-62,87H,15,17,20-23,26-28,33-39,72H2,1-14H3,(H,75,88)(H,76,89)(H,77,90)(H,78,84)(H,79,91)(H,94,95)(H3,73,74,96)/t43-,44+,45+,49-,50-,51-,52+,53?,57-,58-,59-,60-,61+,62+/m0/s1
InChIKey
ZTRDRWJUUWOHKG-QOMYBZJDSA-N
Density
1.3±0.1 g/cm3
Boiling Point
1453.8±65.0°C at 760 mmHg

Cys-MC-VC-PAB-MMAE, a complex molecule integral to targeted cancer therapy through antibody-drug conjugates (ADCs), showcases a myriad of applications. Here are four key applications:

Targeted Cancer Therapy: The strategic use of Cys-MC-VC-PAB-MMAE in ADCs facilitates the precise delivery of the potent cytotoxin MMAE directly to malignant cells. The conjugate’s selective binding to cancer cell antigens enables internalization and controlled release of MMAE within tumor cells. This targeted approach minimizes off-target effects, elevating treatment effectiveness and presenting a promising strategy for battling diverse forms of cancer.

Clinical Oncology Research: Critical for preclinical and clinical investigations, Cys-MC-VC-PAB-MMAE serves as a pivotal tool in assessing the efficacy and safety of novel ADCs. By scrutinizing the pharmacokinetics and pharmacodynamics of these conjugates, scientists can fine-tune dosing schedules and therapeutic windows. This research is fundamental in propelling innovative cancer therapies from experimental phases to practical implementation in clinical environments.

Cell Line Development: Within the realms of biotechnology and pharmaceutical exploration, Cys-MC-VC-PAB-MMAE plays a crucial role in constructing and evaluating engineered cell lines. These engineered cells express specific antigens or receptors, aiding in the evaluation of binding affinity and effectiveness of antibody-drug conjugates. This process assists in the exploration and validation of new therapeutic targets in cancer treatment.

Drug Resistance Studies: Serving as a cornerstone in unraveling drug resistance mechanisms in cancer cells, Cys-MC-VC-PAB-MMAE offers invaluable insights. By subjecting resistant cell lines to this conjugate, researchers can analyze alterations in gene expression, protein levels, and signaling pathways. These revelations are vital for formulating strategies to combat resistance and enhance treatment outcomes in the ongoing battle against cancer.

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: Cys-MC-VC-PAB-MMAE
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