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Cleavable Linker
Fmoc-3VVD-OH is classified as a cleavable ADC linker. The compound contains an Fmoc protecting group that can be removed under basic conditions to reveal a free amine for further peptide coupling. The compound is an intermediate in the synthesis of MMAE, which targets tubulin and inhibits polymerization. The cleavable nature of the linker allows for the release of the drug payload at the target site. The compound has a molecular formula of C36H51N3O7 and a molecular weight of 637.81 g/mol. |
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| ln Vitro |
ADCs are made up of an antibody and an ADC cytotoxin that are joined together by an ADC linker.
In vitro, Fmoc-3VVD-OH is used as a building block for the synthesis of peptide-based ADC linkers. The Fmoc group allows for solid-phase peptide synthesis using standard Fmoc chemistry. The compound is an intermediate in the preparation of MMAE, which is a potent cytotoxin used in ADCs. The compound’s cleavable nature allows for the release of the drug payload under specific conditions. ADCs are comprised of an antibody to which is attached an ADC cytotoxin through an ADC linker. |
| ln Vivo |
No detailed in vivo activity data for Fmoc-3VVD-OH has been published in the available literature. The compound is a research tool used primarily for the synthesis of ADCs. Its in vivo activity would depend on the specific antibody and payload to which it is conjugated. The cleavable nature of the linker allows for the release of the drug payload at the target site.
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| Enzyme Assay |
The purity and identity of Fmoc-3VVD-OH can be assessed using various analytical techniques. In a typical analysis, the compound is characterized by NMR spectroscopy, high-performance liquid chromatography (HPLC), and mass spectrometry. The Fmoc group can be quantified by UV absorption at 301 nm. The compound’s purity is typically ≥98%.
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| Cell Assay |
The use of Fmoc-3VVD-OH in ADC synthesis is assessed in cell-based assays that depend on the specific antibody and payload. For ADC applications, the complete antibody-drug conjugate is added to target cells expressing the appropriate antigen. Cell viability is measured using MTT or CellTiter-Glo assays. The specificity of the conjugate for target cells is assessed by comparing activity against antigen-positive and antigen-negative cell lines.
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| Animal Protocol |
No detailed in vivo animal model data for Fmoc-3VVD-OH has been published in the available literature. The compound is a research tool used in the synthesis of ADCs. Its in vivo efficacy would be evaluated in animal models using the specific ADC to which it is incorporated. Typical studies would involve xenograft models for ADC efficacy.
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| ADME/Pharmacokinetics |
No detailed pharmacokinetic data for Fmoc-3VVD-OH has been published in the available literature. The compound has a molecular weight of 637.81 g/mol and a molecular formula of C36H51N3O7. The compound has a purity of ≥98%. Further studies would be needed to characterize the pharmacokinetic properties of Fmoc-3VVD-OH and its conjugates.
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| Toxicity/Toxicokinetics |
No detailed toxicity data for Fmoc-3VVD-OH has been published in the available literature. As a research compound used in ADC synthesis, Fmoc-3VVD-OH is not intended for direct therapeutic use. The toxicity of Fmoc-3VVD-OH conjugates would depend on the specific antibody and payload. The compound is typically handled with standard laboratory safety precautions.
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| References |
[1]. Michinori Akaiwa, et al. Synthesis and Evaluation of Linear and Macrocyclic Dolastatin 10 Analogues Containing Pyrrolidine Ring Modifications. ACS Omega. 2018 May 31;3(5):5212-5221.
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| Additional Infomation |
Fmoc-3VVD-OH (CAS#: 863971-44-2) is a cleavable ADC linker and Fmoc-protected amino acid derivative used in the synthesis of antibody-drug conjugates (ADCs). The compound is an intermediate in the preparation of Monomethyl auristatin E (MMAE), a potent tubulin polymerization inhibitor. It has a molecular weight of 637.81 g/mol, a molecular formula of C36H51N3O7, and a purity of ≥98%. The compound enables controlled conjugation and enhanced stability of ADCs. It is used in cancer research for the development of targeted therapies.
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| Molecular Formula |
C36H51N3O7
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|---|---|
| Molecular Weight |
637.806050539017
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| Exact Mass |
637.37
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| Elemental Analysis |
C, 67.79; H, 8.06; N, 6.59; O, 17.56
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| CAS # |
863971-44-2
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| Related CAS # |
Fmoc-3VVD-OH;863971-44-2
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| PubChem CID |
60042710
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| Appearance |
White to off-white solid powder
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| LogP |
6
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
16
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| Heavy Atom Count |
46
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| Complexity |
1010
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| Defined Atom Stereocenter Count |
5
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| SMILES |
C(C1C2C=CC=CC=2C2C=CC=CC1=2)OC(=O)N(C)[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H]([C@@H](C)CC)[C@H](OC)CC(=O)O
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| InChi Key |
SMVBIYSFDNRJJI-FCUBIXSHSA-N
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| InChi Code |
InChI=1S/C36H51N3O7/c1-10-23(6)33(29(45-9)19-30(40)41)38(7)35(43)31(21(2)3)37-34(42)32(22(4)5)39(8)36(44)46-20-28-26-17-13-11-15-24(26)25-16-12-14-18-27(25)28/h11-18,21-23,28-29,31-33H,10,19-20H2,1-9H3,(H,37,42)(H,40,41)/t23-,29+,31-,32-,33-/m0/s1
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| Chemical Name |
(5S,8S,11S,12R)-11-((S)-sec-butyl)-1-(9H-fluoren-9-yl)-5,8-diisopropyl-12-methoxy-4,10-dimethyl-3,6,9-trioxo-2-oxa-4,7,10-triazatetradecan-14-oic acid
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| Synonyms |
Fmoc-3VVD-OH;
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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 |
| 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 : ≥ 37 mg/mL (58.01 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 5 mg/mL (7.84 mM) (saturation unknown) in 10% DMSO + 40% PEG300 +5% Tween-80 + 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 50.0 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.5679 mL | 7.8393 mL | 15.6787 mL | |
| 5 mM | 0.3136 mL | 1.5679 mL | 3.1357 mL | |
| 10 mM | 0.1568 mL | 0.7839 mL | 1.5679 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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