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| 5mg |
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| 10mg |
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| 25mg |
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| Targets |
Val-Cit does not have a specific biological target itself, as it is a linker molecule used in the synthesis of ADCs rather than a pharmacologically active compound. Its function is to connect an antibody to a cytotoxic payload in ADC constructs. The valine-citrulline dipeptide sequence is specifically designed to be cleaved by cathepsin B, a lysosomal protease that is highly expressed in tumor cells. This protease-sensitive cleavage enables the selective release of the cytotoxic payload inside target cells, minimizing off-target toxicity and enhancing the therapeutic index of ADCs.
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|---|---|
| ln Vitro |
ADC cytotoxins are connected to antibodies through an ADC connector to form ADCs [1].
Val-Cit does not possess intrinsic biological activity as it is a linker molecule rather than a pharmacologically active compound. Its in vitro utility lies in its use as a chemical building block for the synthesis of ADCs. The compound's valine-citrulline sequence is cleaved by cathepsin B, allowing for the selective release of the payload in protease-rich environments. In vitro studies typically involve testing the stability of the linker in plasma and its cleavage efficiency in the presence of cathepsin B. |
| ln Vivo |
In vivo activity is not applicable to Val-Cit itself, as it is a linker molecule used in the synthesis of ADCs rather than a pharmacologically active compound. The in vivo activity would be associated with the final ADC molecules that incorporate this linker, not with the linker itself. Val-Cit is used exclusively as a chemical building block in research settings to construct ADC molecules that can deliver cytotoxic payloads to target cells.
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| Enzyme Assay |
In vitro enzyme/receptor binding experiments are not applicable to Val-Cit, as it is a linker molecule rather than a biologically active compound. The compound is used as a chemical building block in bioconjugation reactions. Its characterization involves chemical analysis methods such as NMR spectroscopy, HPLC, and mass spectrometry to confirm its structure and purity. Researchers use these analytical techniques to verify the identity and quality of the compound before using it in the synthesis of ADCs.
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| Cell Assay |
In vitro cellular experiments are not performed with Val-Cit itself, as it is a linker molecule used in bioconjugation rather than a biologically active compound. The compound is used exclusively as a building block for the synthesis of ADCs. Researchers handling Val-Cit follow standard chemical synthesis protocols, including the use of appropriate personal protective equipment and working in a fume hood. The compound is stored under conditions that maintain its chemical stability.
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| Animal Protocol |
In vivo animal experiments are not applicable to Val-Cit itself, as it is a linker molecule used in the synthesis of ADCs rather than a pharmacologically active compound. The compound is not administered to animals, and its biological effects have not been studied in vivo. Any animal studies would be conducted with the final ADC molecules that are synthesized using this linker, not with the linker itself.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties are not applicable to Val-Cit itself, as it is a linker molecule used in bioconjugation rather than a pharmacologically active drug candidate. The compound is not intended for administration to animals or humans, and its absorption, distribution, metabolism, and excretion have not been studied. Val-Cit is used exclusively as a building block for the synthesis of ADCs. Its physicochemical properties, such as molecular weight (274.32) and solubility, are relevant to its handling in chemical reactions rather than to biological systems.
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| Toxicity/Toxicokinetics |
Toxicological data for Val-Cit are limited, as the compound is a chemical linker rather than a drug candidate. Standard safety precautions for handling organic chemicals apply, including the use of personal protective equipment and working in a well-ventilated area. The compound is not intended for human consumption, and its toxicity profile has not been extensively characterized. Researchers handling Val-Cit should refer to the material safety data sheet (MSDS) for specific hazard information.
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| References |
[1]. Beck A, et al. Strategies and challenges for the next generation of antibody-drug conjugates. Nat Rev Drug Discov. 2017 May;16(5):315-337.
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| Additional Infomation |
Val-Cit is a research chemical that has not entered clinical trials or received regulatory approval for therapeutic use. It is a cleavable ADC linker that is used in the synthesis of antibody-drug conjugates, a class of targeted therapeutics that deliver cytotoxic payloads to cancer cells. The compound's valine-citrulline dipeptide sequence enables protease-sensitive payload release, making it widely used in ADC development. Its cleavable nature and compatibility with various payloads make it a valuable tool for targeted cancer therapy research.
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| Molecular Formula |
C11H22N4O4
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|---|---|
| Molecular Weight |
274.316782474518
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| Exact Mass |
274.164
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| CAS # |
159858-33-0
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| PubChem CID |
9921644
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| Appearance |
Typically exists as solid at room temperature
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| LogP |
-4.3
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| Hydrogen Bond Donor Count |
5
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
8
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| Heavy Atom Count |
19
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| Complexity |
333
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| Defined Atom Stereocenter Count |
2
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| SMILES |
CC(C)[C@@H](C(=O)N[C@@H](CCCNC(=O)N)C(=O)O)N
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| InChi Key |
AGGWFDNPHKLBBV-YUMQZZPRSA-N
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| InChi Code |
InChI=1S/C11H22N4O4/c1-6(2)8(12)9(16)15-7(10(17)18)4-3-5-14-11(13)19/h6-8H,3-5,12H2,1-2H3,(H,15,16)(H,17,18)(H3,13,14,19)/t7-,8-/m0/s1
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| Chemical Name |
(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-(carbamoylamino)pentanoic acid
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| Synonyms |
ValCit; Val Cit
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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) |
H2O : ~62.5 mg/mL (~227.84 mM)
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.6454 mL | 18.2269 mL | 36.4538 mL | |
| 5 mM | 0.7291 mL | 3.6454 mL | 7.2908 mL | |
| 10 mM | 0.3645 mL | 1.8227 mL | 3.6454 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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