| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 100mg | |||
| Other Sizes |
| Targets |
Zaurategrast targets α4-integrin, specifically the α4β1 and α4β7 integrin heterodimers. These integrins are cell surface receptors that mediate leukocyte adhesion and migration. By inhibiting α4-integrin, Zaurategrast blocks the interaction between integrins and their ligands, such as vascular cell adhesion molecule 1 (VCAM-1), thereby modulating immune cell trafficking and inflammatory responses.
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| ln Vitro |
The carboxylate zaurategrast (CT7758) contains an antagonist of α4β1/α4/β7 integrin [1].
In vitro, Zaurategrast (CT7758) acts as a carboxylate-containing α4β1/α4β7 integrin antagonist. It effectively inhibits the binding of α4 integrins to their ligands, thereby blocking cell adhesion and migration. The compound's activity is characterized by its potent inhibition of integrin-mediated cellular processes, which is central to its anti-inflammatory mechanism. |
| ln Vivo |
In vivo, Zaurategrast is an orally effective α4-integrin inhibitor. As an orally active compound, it has been studied for its potential therapeutic applications in inflammatory diseases. Its ability to inhibit integrin function in vivo underlies its potential for treating conditions involving pathological immune cell infiltration.
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| Enzyme Assay |
In vitro enzyme/receptor binding assays for Zaurategrast involve measuring its binding affinity and inhibitory activity against α4 integrins. These cell-free assays typically use purified integrin proteins or cell membrane preparations expressing α4β1 and α4β7 integrins. The compound's ability to displace radiolabeled ligands or inhibit integrin-ligand interactions is quantified to determine its potency and binding characteristics.
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| Cell Assay |
In vitro cellular assays for Zaurategrast are performed using cell lines that express α4 integrins, such as leukocytes or lymphocytes. Cells are treated with the compound, and its effect on cell adhesion to immobilized ligands (e.g., VCAM-1 or fibronectin) is measured. The inhibition of cell adhesion and migration is quantified, providing a functional measure of the compound's integrin antagonist activity.
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| Animal Protocol |
In vivo animal experiments for Zaurategrast typically involve oral administration to animal models of inflammatory diseases. The compound's efficacy is assessed by measuring its ability to reduce inflammation, inhibit leukocyte infiltration, and ameliorate disease symptoms. Pharmacodynamic endpoints include the measurement of inflammatory markers and histological analysis of affected tissues.
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| ADME/Pharmacokinetics |
The pharmacokinetic properties of Zaurategrast have been studied in preclinical models. It is an orally effective compound with a favorable pharmacokinetic profile. Cross-species differences in its preclinical pharmacokinetics have been reported, highlighting the importance of understanding its absorption, distribution, metabolism, and excretion (ADME) properties for therapeutic development.
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| Toxicity/Toxicokinetics |
The toxicity profile of Zaurategrast has been evaluated in preclinical studies. As an integrin inhibitor, its safety profile is characterized by its effects on immune function and potential for immunosuppression. Specific toxicity data, including organ-specific effects and dose-limiting toxicities, are typically assessed in standard toxicology studies to support its development as a therapeutic agent.
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| References | |
| Additional Infomation |
Zaurategrast is also known as CDP323 and was initially developed by the UK biopharmaceutical company Celltech plc. It functions as an antagonist of the binding between VCAM-1 and α4 integrin. The compound has been studied for its potential anti-inflammatory and immunomodulatory effects. It is a research compound not approved for clinical use.
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| Molecular Formula |
C26H25BRN4O3
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|---|---|
| Molecular Weight |
521.415
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| Exact Mass |
520.111
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| CAS # |
455264-31-0
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| Related CAS # |
Zaurategrast ethyl ester;455264-30-9;Zaurategrast ethyl ester sulfate;1214261-78-5
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| PubChem CID |
10186367
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| Appearance |
Light yellow to yellow solid powder
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| Density |
1.53
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| LogP |
5.562
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
34
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| Complexity |
804
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| Defined Atom Stereocenter Count |
1
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| SMILES |
C1CCC2(CC1)C(=C(C2=O)Br)N[C@@H](CC3=CC=C(C=C3)NC4=NC=CC5=C4C=NC=C5)C(=O)O
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| InChi Key |
KYHVWHYLKOHLKA-FQEVSTJZSA-N
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| InChi Code |
InChI=1S/C26H25BrN4O3/c27-21-22(26(23(21)32)10-2-1-3-11-26)31-20(25(33)34)14-16-4-6-18(7-5-16)30-24-19-15-28-12-8-17(19)9-13-29-24/h4-9,12-13,15,20,31H,1-3,10-11,14H2,(H,29,30)(H,33,34)/t20-/m0/s1
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| Chemical Name |
(2S)-2-[(2-bromo-3-oxospiro[3.5]non-1-en-1-yl)amino]-3-[4-(2,7-naphthyridin-1-ylamino)phenyl]propanoic acid
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| Synonyms |
CDP 323; CDP-323; CDP323
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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 : ~100 mg/mL (~191.79 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 3.25 mg/mL (6.23 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 32.5 mg/mL clear DMSO stock solution to 400 μL of PEG300 and mix evenly; then add 50 μL of Tween-80 to the above solution and mix evenly; then add 450 μL of 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: ≥ 3.25 mg/mL (6.23 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 32.5 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.9178 mL | 9.5892 mL | 19.1784 mL | |
| 5 mM | 0.3836 mL | 1.9178 mL | 3.8357 mL | |
| 10 mM | 0.1918 mL | 0.9589 mL | 1.9178 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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