| Size | Price | Stock | Qty |
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| ln Vitro |
The ethyl ester prodrug of CT7758, zaurategrast ethyl ester (CDP323), has demonstrated some improvement in mass transfer [1].
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| References | |
| Additional Infomation |
CDP323 is an antagonist of vascular cell adhesion molecule 1 (VCAM-1) binding to α4 integrin (another adhesion molecule), a process thought to be involved in the pathophysiology of multiple sclerosis (MS). It is considered a small molecule prodrug. Originally developed by the UK biopharmaceutical company Celltech plc (now UCB SA), CDP323 is a potential new drug for the oral treatment of MS.
Drug Indications Investigations are underway for the treatment of MS.Mechanism of Action CDP323 is thought to prevent immune cells from migrating from the blood vessel walls to other tissues, including those in the central nervous system, thereby preventing these cells from causing encephalomyelitis (or inflammation of the white matter of the brain and spinal cord). This inhibition of cell migration prevents the immune response that leads to tissue damage, which is often a consequence of uncontrolled cell migration. |
| Molecular Formula |
C28H29BRN4O3
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|---|---|
| Molecular Weight |
549.46
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| Exact Mass |
548.142
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| CAS # |
455264-30-9
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| Related CAS # |
Zaurategrast;455264-31-0;Zaurategrast ethyl ester sulfate;1214261-78-5
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| PubChem CID |
23394557
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| Appearance |
Yellow to reddish brown solid powder
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| LogP |
6.04
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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 |
9
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| Heavy Atom Count |
36
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| Complexity |
835
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| Defined Atom Stereocenter Count |
1
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| SMILES |
CCOC(=O)[C@H](CC1=CC=C(C=C1)NC2=NC=CC3=C2C=NC=C3)NC4=C(C(=O)C45CCCCC5)Br
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| InChi Key |
QCYAXXZCQKMTMO-QFIPXVFZSA-N
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| InChi Code |
InChI=1S/C28H29BrN4O3/c1-2-36-27(35)22(33-24-23(29)25(34)28(24)12-4-3-5-13-28)16-18-6-8-20(9-7-18)32-26-21-17-30-14-10-19(21)11-15-31-26/h6-11,14-15,17,22,33H,2-5,12-13,16H2,1H3,(H,31,32)/t22-/m0/s1
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| Chemical Name |
ethyl (2S)-2-[(2-bromo-3-oxospiro[3.5]non-1-en-1-yl)amino]-3-[4-(2,7-naphthyridin-1-ylamino)phenyl]propanoate
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| Synonyms |
UCB1184197; UCB 1184197; UCB-1184197
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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 : ~150 mg/mL (~273.00 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (4.55 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 25.0 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: ≥ 2.5 mg/mL (4.55 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.8200 mL | 9.0998 mL | 18.1997 mL | |
| 5 mM | 0.3640 mL | 1.8200 mL | 3.6399 mL | |
| 10 mM | 0.1820 mL | 0.9100 mL | 1.8200 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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