| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| 5mg |
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| 10mg |
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| Other Sizes |
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| ln Vitro |
In activation-induced cytidine deaminase (AID)-positive cells, emzadirib displays an EC50 of less than 1 μM [1].
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|---|---|
| References | |
| Additional Infomation |
Emzadirib is an orally bioavailable inhibitor of the DNA damage repair protein RAD51, with potential antineoplastic and sensitizing activities. Upon oral administration, emzadirib targets, binds to and inhibits the activity of RAD51. This prevents RAD51-mediated DNA damage repair in susceptible tumor cells and induces tumor cell apoptosis. RAD51, the central protein involved in homologous repair (HR) of DNA double-strand breaks (DSBs), is overexpressed in many tumor cell types.
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| Molecular Formula |
C27H40N4O6S2
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|---|---|
| Molecular Weight |
580.76
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| Exact Mass |
580.238
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| CAS # |
2301085-04-9
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| PubChem CID |
137542570
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| Appearance |
White to off-white solid powder
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| LogP |
4.8
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
9
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| Rotatable Bond Count |
11
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| Heavy Atom Count |
39
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| Complexity |
926
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1(C2SC(=NC=2)[C@@H]2CC[C@@H](NC(=O)OC(C)C)CC2)=C(S(=O)(=O)NC(C)(C)C)C=C(C=C1)NC(=O)OC(C)C
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| InChi Key |
OVXFEICGTUUFPE-WGSAOQKQSA-N
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| InChi Code |
InChI=1S/C27H40N4O6S2/c1-16(2)36-25(32)29-19-10-8-18(9-11-19)24-28-15-22(38-24)21-13-12-20(30-26(33)37-17(3)4)14-23(21)39(34,35)31-27(5,6)7/h12-19,31H,8-11H2,1-7H3,(H,29,32)(H,30,33)/t18-,19-
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| Chemical Name |
isopropyl ((1r,4r)-4-(5-(2-(N-(tert-butyl)sulfamoyl)-4-((isopropoxycarbonyl)amino)phenyl)thiazol-2-yl)cyclohexyl)carbamate
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| Synonyms |
RAD51 IN-2RAD51-IN-2 RAD51 IN 2 RAD51-IN 2
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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 (~172.19 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (4.30 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 25.0 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. Solubility in Formulation 2: ≥ 2.5 mg/mL (4.30 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 | 1.7219 mL | 8.6094 mL | 17.2188 mL | |
| 5 mM | 0.3444 mL | 1.7219 mL | 3.4438 mL | |
| 10 mM | 0.1722 mL | 0.8609 mL | 1.7219 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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