AcLys-PABC-VC-Aur0101 - CAS 1438851-17-2
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AcLys-PABC-VC-Aur0101 - CAS 1438851-17-2 Catalog number: BADC-00596

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AcLys-PABC-VC-Aur0101 is a cleavable anti-CXCR4 drug-linker conjugates for ADC. It has potent antitumor activity by using Aur0101 (an auristatin microtubule inhibitor), linked via the cleavable linker AcLys-PABC-VC.

Category
ADCs Cytotoxin with Linkers
Product Name
AcLys-PABC-VC-Aur0101
CAS
1438851-17-2
Catalog Number
BADC-00596
Molecular Formula
C66H103N13O13S
Molecular Weight
1318.67
AcLys-PABC-VC-Aur0101

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Description
AcLys-PABC-VC-Aur0101 is a cleavable anti-CXCR4 drug-linker conjugates for ADC. It has potent antitumor activity by using Aur0101 (an auristatin microtubule inhibitor), linked via the cleavable linker AcLys-PABC-VC.
IUPAC Name
[4-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-6-aminohexanoyl]amino]-3-methylbutanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]phenyl]methyl N-[1-[[(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]amino]-2-methyl-1-oxopropan-2-yl]carbamate
Canonical SMILES
CC(N[C@@H](CCCCN)C(N[C@@H](C(C)C)C(N[C@@H](CCCNC(N)=O)C(NC1=CC=C(COC(NC(C)(C)C(N[C@@H](C(C)C)C(N(C)[C@@H]([C@@H](C)CC)[C@H](OC)CC(N2[C@H]([C@@H]([C@H](C(N[C@@H](CC3=CC=CC=C3)C4=NC=CS4)=O)C)OC)CCC2)=O)=O)=O)=O)C=C1)=O)=O)=O)=O
InChI
InChI=1S/C66H103N13O13S/c1-14-41(6)55(51(90-12)37-52(81)79-34-21-26-50(79)56(91-13)42(7)57(82)74-49(61-69-33-35-93-61)36-44-22-16-15-17-23-44)78(11)62(86)54(40(4)5)76-63(87)66(9,10)77-65(89)92-38-45-27-29-46(30-28-45)72-58(83)48(25-20-32-70-64(68)88)73-60(85)53(39(2)3)75-59(84)47(71-43(8)80)24-18-19-31-67/h15-17,22-23,27-30,33,35,39-42,47-51,53-56H,14,18-21,24-26,31-32,34,36-38,67H2,1-13H3,(H,71,80)(H,72,83)(H,73,85)(H,74,82)(H,75,84)(H,76,87)(H,77,89)(H3,68,70,88)/t41-,42+,47-,48-,49-,50-,51+,53-,54-,55-,56+/m0/s1
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AcLys-PABC-VC-Aur0101 is a novel drug conjugate designed for targeted cancer therapy. Here are some key applications of AcLys-PABC-VC-Aur0101:

Targeted Chemotherapy: AcLys-PABC-VC-Aur0101 is engineered to deliver cytotoxic agents directly to cancer cells, minimizing damage to healthy tissues. By targeting specific tumor markers, this approach increases the efficacy of chemotherapy while reducing common side effects. This precision in targeting enhances the overall treatment outcomes for patients.

Drug Delivery Systems: The conjugate structure of AcLys-PABC-VC-Aur0101 allows for the incorporation of various therapeutic payloads. Its design can be adapted to carry different drugs, making it a versatile platform for treating various types of cancers. This adaptability is crucial for personalized medicine, where treatments are tailored to individual patient's tumor profiles.

Combination Therapy: AcLys-PABC-VC-Aur0101 can be used in combination with other therapeutic agents to enhance anti-cancer efficacy. By synergizing with other drugs, it can overcome resistance mechanisms and improve treatment responses. This multi-faceted approach is essential for tackling aggressive and treatment-resistant cancers.

Tumor Imaging: The molecular structure of AcLys-PABC-VC-Aur0101 can be modified to include imaging agents, enabling its use in diagnostic imaging. This allows clinicians to visualize tumor localization and drug distribution in real-time. Such imaging capabilities are beneficial for monitoring treatment progression and optimizing therapeutic strategies.

1.Optimal design, anti-tumour efficacy and tolerability of anti-CXCR4 antibody drug conjugates.
Costa MJ, et al.
Antibody-drug conjugates (ADCs) are promising therapies for haematological cancers. Historically, their therapeutic benefit is due to ADC targeting of lineage-restricted antigens. The C-X-C motif chemokine receptor 4 (CXCR4) is attractive for targeted therapy of haematological cancers, given its expression in multiple tumour types and role in cancer "homing" to bone marrow. However, CXCR4 is also expressed in haematopoietic cells and other normal tissues, raising safety challenges to the development of anti-CXCR4 ADCs for cancer treatment. Here, we designed the first anti-CXCR4 ADC with favourable therapeutic index, effective in xenografts of haematopoietic cancers resistant to standard of care and anti-CXCR4 antibodies. We screened multiple ADC configurations, by varying type of linker-payload, drug-to-antibody ratio (DAR), affinity and Fc format. The optimal ADC bears a non-cleavable linker, auristatin as payload at DAR = 4 and a low affinity antibody with effector-reduced Fc. Contrary to other drugs targeting CXCR4, anti-CXCR4 ADCs effectively eliminated cancer cells as monotherapy, while minimizing leucocytosis. The optimal ADC selectively eliminated CXCR4+ cancer cells in solid tumours, but showed limited toxicity to normal CXCR4+ tissues, sparing haematopoietic stem cells and progenitors. Our work provides proof-of-concept that through empirical ADC design, it is possible to target proteins with broad normal tissue expression.
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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