| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| Other Sizes |
| Targets |
AcLys-PABC-VC-Aur0101 targets CXCR4, a chemokine receptor overexpressed in many cancers. The compound is a drug-linker conjugate designed for anti-CXCR4 ADC applications. The auristatin payload (Aur0101) targets microtubules, inhibiting tubulin polymerization and causing cell cycle arrest and apoptosis.
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| ln Vitro |
In vitro, AcLys-PABC-VC-Aur0101 demonstrates potent antitumor activity as a drug-linker conjugate for ADC applications. The auristatin microtubule inhibitor Aur0101 causes cell death in cancer cells. Detailed IC₅0 values against specific cancer cell lines are not extensively documented in the available literature.
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| ln Vivo |
In vivo activity data for AcLys-PABC-VC-Aur0101 are not extensively documented. As an ADC drug-linker conjugate targeting CXCR4, the compound is expected to show antitumor efficacy in xenograft models expressing CXCR4. The targeted delivery approach aims to minimize damage to healthy tissues while increasing chemotherapy efficacy.
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| Enzyme Assay |
The in vitro cytotoxicity assay for AcLys-PABC-VC-Aur0101 uses CXCR4-expressing cancer cell lines. Cells are cultured and treated with varying concentrations of the conjugate. Cell viability is measured using MTT, CellTiter-Glo, or other proliferation assays. IC₅0 values are calculated from dose-response curves. The potency of the auristatin payload is assessed by comparing to free Aur0101.
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| Cell Assay |
For in vitro cell-based assays, cancer cell lines expressing CXCR4 are cultured and treated with AcLys-PABC-VC-Aur0101 at various concentrations. Cell viability is measured using standard proliferation assays. Microtubule disruption may be assessed by immunofluorescence staining of tubulin. Apoptosis is assessed by caspase activity or Annexin V staining. Experiments are typically performed in triplicate under standard culture conditions.
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| Animal Protocol |
In vivo animal studies for AcLys-PABC-VC-Aur0101 would typically involve xenograft mouse models using CXCR4-expressing cancer cell lines. Tumor-bearing mice are administered the ADC conjugate intravenously at various doses. Tumor volume is measured periodically using calipers, and tumor growth inhibition is assessed relative to vehicle or control ADC-treated groups. At study termination, tumors are harvested for histopathological and molecular analysis.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of AcLys-PABC-VC-Aur0101 are not extensively documented. The compound has molecular formula C₆₆H103N13O13S. It is a drug-linker conjugate designed for ADC applications. The cleavable linker AcLys-PABC-VC allows for payload release in target cells. Further detailed PK parameters would require dedicated studies.
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| Toxicity/Toxicokinetics |
Toxicological data for AcLys-PABC-VC-Aur0101 are not well characterized. As a research compound, standard safety precautions should be observed. The compound is for laboratory use only and not intended for human therapeutic applications. Auristatin-based ADCs as a class may have potential toxicities including peripheral neuropathy and myelosuppression. Comprehensive toxicity profiling would be required for therapeutic development.
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| References | |
| Additional Infomation |
AcLys-PABC-VC-Aur0101 (CAS# 1438851-17-2) is a drug-linker conjugate for anti-CXCR4 ADC applications. It comprises the auristatin microtubule inhibitor Aur0101 linked via the cleavable linker AcLys-PABC-VC. The conjugate has potent antitumor activity and is used in ADC research.
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| Molecular Formula |
C66H103N13O13S
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|---|---|
| Molecular Weight |
1318.66833519936
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| Exact Mass |
1317.751
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| CAS # |
1438851-17-2
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| PubChem CID |
89582479
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| Appearance |
White to off-white solid powder
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| LogP |
4.5
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| Hydrogen Bond Donor Count |
10
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| Hydrogen Bond Acceptor Count |
16
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| Rotatable Bond Count |
39
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| Heavy Atom Count |
93
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| Complexity |
2410
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| Defined Atom Stereocenter Count |
11
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| SMILES |
S1C=CN=C1[C@H](CC1C=CC=CC=1)NC([C@H](C)[C@H]([C@@H]1CCCN1C(C[C@H]([C@H]([C@@H](C)CC)N(C)C([C@H](C(C)C)NC(C(C)(C)NC(=O)OCC1C=CC(=CC=1)NC([C@H](CCCNC(N)=O)NC([C@H](C(C)C)NC([C@H](CCCCN)NC(C)=O)=O)=O)=O)=O)=O)OC)=O)OC)=O
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| InChi Key |
CSFABFFIYKWJFE-SDBMIVFWSA-N
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| InChi Code |
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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| Chemical 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
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: (1). This product requires protection from light (avoid light exposure) during transportation and storage. (2). Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture. |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
DMSO : ~100 mg/mL (~75.83 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (1.90 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (1.90 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (1.90 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 0.7583 mL | 3.7917 mL | 7.5834 mL | |
| 5 mM | 0.1517 mL | 0.7583 mL | 1.5167 mL | |
| 10 mM | 0.0758 mL | 0.3792 mL | 0.7583 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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