| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 25mg |
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| Other Sizes |
| Targets |
Fmoc-Val-Cit-PAB-MMAE targets tubulin through its MMAE payload. MMAE is a potent inhibitor of tubulin polymerization, disrupting microtubule dynamics and leading to cell cycle arrest and apoptosis in cancer cells. The Val-Cit-PAB linker is designed to be cleaved by cathepsin B, an enzyme that is overexpressed in the tumor microenvironment. The Fmoc group protects the N-terminus during synthesis. The compound is used in ADC development to deliver the cytotoxic payload specifically to tumor cells.
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| ln Vitro |
In vitro, Fmoc-Val-Cit-PAB-MMAE is not typically tested as a standalone compound; rather, it is incorporated into ADCs. The MMAE payload is a potent inhibitor of tubulin polymerization with sub-nanomolar IC₅₀ values against various cancer cell lines. The Val-Cit-PAB linker is cleaved by cathepsin B, releasing the active MMAE inside target cells. The compound's activity is assessed as part of the complete ADC conjugate.
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| ln Vivo |
In vivo, Fmoc-Val-Cit-PAB-MMAE is used in ADC development to deliver cytotoxic payloads specifically to tumor cells. ADCs containing the Val-Cit-PAB-MMAE linker-payload have demonstrated antitumor efficacy in xenograft models. The Val-Cit linker is cleaved by cathepsin B, which is overexpressed in the tumor microenvironment, enabling targeted delivery. Specific in vivo data for this compound are limited.
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| Enzyme Assay |
In vitro enzyme/receptor binding assays for Fmoc-Val-Cit-PAB-MMAE typically involve assessing the cleavage of the Val-Cit linker by cathepsin B. The compound is incubated with recombinant cathepsin B in appropriate buffer, and the release of MMAE or the PAB-MMAE fragment is monitored by HPLC or LC-MS. The efficiency of linker cleavage is quantified, and the kinetics of release are determined. These assays are important for evaluating the stability and release characteristics of the ADC linker-payload.
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| Cell Assay |
In vitro cell-based assays for Fmoc-Val-Cit-PAB-MMAE are typically performed using the complete ADC rather than the standalone linker-payload. Cancer cell lines expressing the target antigen are treated with the ADC, and cell viability is assessed by MTT or CellTiter-Glo assays. The potency of the ADC is determined by measuring IC₅₀ values. The specificity of the ADC is assessed using antigen-negative cell lines as controls.
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| Animal Protocol |
In vivo animal studies with Fmoc-Val-Cit-PAB-MMAE are typically performed using the complete ADC rather than the standalone linker-payload. Xenograft models of human tumors are established in immunodeficient mice. The ADC is administered intravenously at various doses, and tumor volume is measured regularly. Animals are monitored for body weight, signs of toxicity, and survival. At study termination, tumors are collected for histopathological and biochemical analysis.
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| ADME/Pharmacokinetics |
Pharmacokinetic (PK) properties of Fmoc-Val-Cit-PAB-MMAE as a standalone compound are not typically characterized, as it is used in ADC development. The PK properties of the complete ADC are determined by the antibody component, with the linker-payload influencing the stability and release characteristics. The Val-Cit linker is designed to be stable in circulation and cleaved intracellularly by cathepsin B. Specific PK data for this compound are not available.
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| Toxicity/Toxicokinetics |
The toxicity profile of Fmoc-Val-Cit-PAB-MMAE is typically assessed as part of the complete ADC. The MMAE payload is highly potent and can cause toxicity if released systemically. The Val-Cit linker is designed to minimize premature release in circulation. However, specific toxicology data for this compound are limited. The compound is intended for research use only.
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| Additional Infomation |
Fmoc-Val-Cit-PAB-MMAE is a research-grade drug-linker conjugate used in the development of antibody-drug conjugates (ADCs). It is composed of the ADC linker (Fmoc-Val-Cit-PAB) and the potent tubulin inhibitor MMAE. It is used in targeted cancer therapy. The compound is not an approved therapeutic drug and has no clinical trial history. Molecular formula: C₇₃H₁₀₄N₁₀O₁₄; molecular weight: 1345.66. It is soluble in DMSO and should be stored at 2-8°C.
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| Molecular Formula |
C73H104N10O14
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|---|---|
| Molecular Weight |
1345.6655
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| Exact Mass |
1344.773
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| CAS # |
1350456-56-2
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| PubChem CID |
118986648
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| Appearance |
White to off-white solid powder
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| LogP |
8.1
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| Hydrogen Bond Donor Count |
8
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| Hydrogen Bond Acceptor Count |
14
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| Rotatable Bond Count |
36
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| Heavy Atom Count |
97
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| Complexity |
2530
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| Defined Atom Stereocenter Count |
12
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| SMILES |
O(C([H])([H])[H])[C@]([H])([C@]([H])(C(N([H])[C@]([H])(C([H])([H])[H])[C@]([H])(C1C([H])=C([H])C([H])=C([H])C=1[H])O[H])=O)C([H])([H])[H])[C@]1([H])C([H])([H])C([H])([H])C([H])([H])N1C(C([H])([H])[C@]([H])([C@]([H])([C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])N(C([H])([H])[H])C([C@]([H])(C([H])(C([H])([H])[H])C([H])([H])[H])N([H])C([C@]([H])(C([H])(C([H])([H])[H])C([H])([H])[H])N(C(=O)OC([H])([H])C1C([H])=C([H])C(=C([H])C=1[H])N([H])C([C@]([H])(C([H])([H])C([H])([H])C([H])([H])N([H])C(N([H])[H])=O)N([H])C([C@]([H])(C([H])(C([H])([H])[H])C([H])([H])[H])N([H])C(=O)OC([H])([H])C1([H])C2=C([H])C([H])=C([H])C([H])=C2C2=C([H])C([H])=C([H])C([H])=C12)=O)=O)C([H])([H])[H])=O)=O)OC([H])([H])[H])=O
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| InChi Key |
RHQGFVOXIOMBMC-UUMMFNFXSA-N
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| InChi Code |
InChI=1S/C73H104N10O14/c1-15-45(8)63(58(94-13)39-59(84)83-38-24-32-57(83)65(95-14)46(9)66(86)76-47(10)64(85)49-25-17-16-18-26-49)81(11)70(90)61(43(4)5)79-69(89)62(44(6)7)82(12)73(93)97-40-48-33-35-50(36-34-48)77-67(87)56(31-23-37-75-71(74)91)78-68(88)60(42(2)3)80-72(92)96-41-55-53-29-21-19-27-51(53)52-28-20-22-30-54(52)55/h16-22,25-30,33-36,42-47,55-58,60-65,85H,15,23-24,31-32,37-41H2,1-14H3,(H,76,86)(H,77,87)(H,78,88)(H,79,89)(H,80,92)(H3,74,75,91)/t45-,46+,47+,56-,57-,58+,60-,61-,62-,63-,64+,65+/m0/s1
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| Chemical Name |
[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-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
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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). Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture. (2). This product is not stable in solution, please use freshly prepared working solution for optimal results. |
| 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 : ≥ 30 mg/mL (~22.29 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: 5.5 mg/mL (4.09 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 55.0 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: 5.5 mg/mL (4.09 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 55.0 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: ≥ 5.5 mg/mL (4.09 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 | 0.7431 mL | 3.7156 mL | 7.4312 mL | |
| 5 mM | 0.1486 mL | 0.7431 mL | 1.4862 mL | |
| 10 mM | 0.0743 mL | 0.3716 mL | 0.7431 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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