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| 1mg |
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| 5mg |
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| 10mg |
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| 25mg |
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| Targets |
TCS2314 targets very late antigen-4 (VLA-4, α4β1 integrin, CD49d/CD29), a cell surface integrin involved in leukocyte adhesion and migration. By antagonizing VLA-4, TCS2314 blocks the activation of inflammatory cells and inhibits leukocyte adhesion to endothelial cells. The compound is orally active and has been studied for the treatment of asthma.
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| ln Vitro |
In vitro, TCS2314 is a selective VLA-4 antagonist with an IC50 of 4.4 nM. It blocks the activation of inflammatory cells. The compound's activity is assessed by measuring VLA-4-mediated cell adhesion in cell-based assays and by assessing its effects on leukocyte migration and inflammatory responses.
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| ln Vivo |
In vivo, TCS2314 is orally bioactive and has been studied for the treatment of asthma. By blocking VLA-4-mediated leukocyte adhesion and migration, the compound reduces inflammatory cell infiltration into tissues. It has high plasma clearance and low oral bioavailability in rats, which may limit its therapeutic applications.
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| Enzyme Assay |
In vitro receptor binding assays for TCS2314 measure its affinity for VLA-4 (α4β1 integrin) using radioligand displacement or cell adhesion assays. The compound's ability to inhibit VLA-4-mediated cell adhesion is assessed using adhesion assays with VLA-4-expressing cells and VCAM-1-coated surfaces. An IC50 of 4.4 nM is determined.
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| Cell Assay |
In vitro cell-based assays for TCS2314 use leukocyte cell lines or primary leukocytes to assess VLA-4 antagonism. Cells are treated with serial dilutions of the compound, and VLA-4-mediated adhesion to VCAM-1 or fibronectin is measured. Inhibition of leukocyte migration and inflammatory cell activation is assessed in functional assays.
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| Animal Protocol |
In vivo animal models for TCS2314 include models of asthma and other inflammatory diseases. The compound is administered orally or via other routes, and its effects on inflammatory cell infiltration, airway hyperresponsiveness, and disease severity are evaluated. Pharmacodynamic studies measure VLA-4 antagonism and leukocyte adhesion in target tissues.
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| ADME/Pharmacokinetics |
TCS2314 has a molecular formula of C28H34N4O6 and a molecular weight of 522.59 g/mol. It is also known as TCS 2314 and compound 3. The compound has the chemical name (S)-2-(1-(4-(2-(4-(3-(o-Tolyl)ureido)phenyl)acetyl)morpholine-3-carbonyl)piperidin-4-yl)acetic acid. It has a purity of ≥99% and is stored under appropriate conditions for research use.
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| Toxicity/Toxicokinetics |
The toxicity profile of TCS2314 is characterized in preclinical safety studies. As a VLA-4 antagonist, the compound may affect immune function and leukocyte trafficking. The compound is for research use only and is not approved for clinical use. Appropriate safety precautions should be taken during handling.
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| References | |
| Additional Infomation |
TCS2314 is an orally bioactive, selective very late antigen-4 (VLA-4, α4β1, CD49d/CD29) antagonist with an IC50 of 4.4 nM. It blocks the activation of inflammatory cells and has been studied for the treatment of asthma. TCS2314 is also known as compound 3 and is intended for laboratory research use only.
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| Molecular Formula |
C28H34N4O6
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|---|---|
| Molecular Weight |
522.5928
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| Exact Mass |
522.248
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| CAS # |
317353-73-4
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| PubChem CID |
11226207
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| Appearance |
White to off-white solid powder
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| LogP |
3.084
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
38
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| Complexity |
837
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| Defined Atom Stereocenter Count |
1
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| SMILES |
CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)CC(=O)N3CCOC[C@H]3C(=O)N4CCC(CC4)CC(=O)O
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| InChi Key |
ITXAAOWFOURIHK-DEOSSOPVSA-N
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| InChi Code |
InChI=1S/C28H34N4O6/c1-19-4-2-3-5-23(19)30-28(37)29-22-8-6-20(7-9-22)16-25(33)32-14-15-38-18-24(32)27(36)31-12-10-21(11-13-31)17-26(34)35/h2-9,21,24H,10-18H2,1H3,(H,34,35)(H2,29,30,37)/t24-/m0/s1
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| Chemical Name |
2-[1-[(3S)-4-[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]morpholine-3-carbonyl]piperidin-4-yl]acetic acid
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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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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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 | 1.9135 mL | 9.5677 mL | 19.1355 mL | |
| 5 mM | 0.3827 mL | 1.9135 mL | 3.8271 mL | |
| 10 mM | 0.1914 mL | 0.9568 mL | 1.9135 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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