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| Targets |
AD-57 targets multiple kinases including RET, BRAF, S6K, and Src. It functions as a multikinase inhibitor, blocking signaling pathways involved in tumor cell proliferation and angiogenesis. The compound shows greatly reduced activity on mTOR. It also has been described as an inhibitor of c-Src and Abl with IC50 values of 0.025 μM and 0.041 μM, respectively.
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| ln Vitro |
In Drosophila larvae, AD57 (0.2 nM) dramatically reduces the lethality of ptc > dRetMEN2B [1]. By lowering the dosage of the erk gene, AD57 (0.1 nM) promotes the lethality of ptc > dRetMEN2B in Drosophila larvae [1].
In vitro, AD-57 (0.2 nM) significantly inhibits the ptc > dRet MEN2B lethality in the larva of Drosophila. It is an orally active multikinase inhibitor. The compound's kinase inhibitory activities have been characterized in biochemical assays. |
| ln Vivo |
In the RETMEN2 model, AD57 suppresses the viability of patient-derived MEN2B (MZ-CRC-1) and MEN2A (TT) cell lines [1]. In a rotating experimental xenograft model, AD57 (20 mg/kg) effectively suppressed TT-based tumor growth without causing considerable cytotoxicity [1].
In vivo, AD-57 (20 mg/kg) effectively suppressed TT-based tumor growth in a rotating experimental xenograft model without causing considerable cytotoxicity. This demonstrates the compound's potential as an anticancer agent. |
| Enzyme Assay |
The kinase inhibitory activity of AD-57 is assessed using in vitro kinase assays with recombinant RET, BRAF, S6K, and Src proteins. Assays are performed in kinase buffer with ATP and substrates, and IC50 values are calculated. Phosphorylation of peptide substrates is measured using radioactive or fluorescence-based detection methods.
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| Cell Assay |
The cellular activity of AD-57 is evaluated in cancer cell lines. Cells are treated with the compound, and downstream signaling pathways are assessed by Western blot. Cell proliferation and survival are measured using MTT or CellTiter-Glo assays. Target kinase inhibition is confirmed by assessing phosphorylation of downstream substrates.
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| Animal Protocol |
In vivo efficacy of AD-57 is evaluated in xenograft mouse models of cancer. Animals are administered the compound orally, and tumor growth or disease progression is assessed. Pharmacodynamic endpoints include assessment of target kinase inhibition in tumor tissues by immunohistochemistry or Western blot.
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| ADME/Pharmacokinetics |
AD-57 has a molecular formula of C22H20F3N7O and a molecular weight of 455.44 g/mol. Its IUPAC name is 1-{4-[4-amino-1-(1-methylethyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl}-3-[3-(trifluoromethyl)phenyl]urea. The compound is soluble in DMSO. It is stored under recommended conditions.
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| Toxicity/Toxicokinetics |
Comprehensive toxicological data for AD-57 are limited. The compound is intended for research use only. Standard laboratory safety precautions should be followed when handling this compound.
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| References | |
| Additional Infomation |
AD-57 is an orally active multikinase inhibitor targeting RET, BRAF, S6K, and Src. It has potential anticancer properties. The compound is a valuable tool for studying kinase signaling pathways and their role in cancer. It also has been described as an IRE1 inhibitor.
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| Molecular Formula |
C22H20F3N7O
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|---|---|
| Molecular Weight |
455.435713768005
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| Exact Mass |
455.17
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| Elemental Analysis |
C, 58.02; H, 4.43; F, 12.51; N, 21.53; O, 3.51
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| CAS # |
1093380-42-7
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| Related CAS # |
AD57 hydrochloride;2320261-72-9
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| PubChem CID |
25011745
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| Appearance |
Off-white to light yellow solid powder
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| LogP |
3.6
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
8
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
33
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| Complexity |
671
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| Defined Atom Stereocenter Count |
0
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| SMILES |
FC(C1C=CC=C(C=1)NC(NC1C=CC(=CC=1)C1C2=C(N)N=CN=C2N(C(C)C)N=1)=O)(F)F
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| InChi Key |
LEERPLGXOHLQPF-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C22H20F3N7O/c1-12(2)32-20-17(19(26)27-11-28-20)18(31-32)13-6-8-15(9-7-13)29-21(33)30-16-5-3-4-14(10-16)22(23,24)25/h3-12H,1-2H3,(H2,26,27,28)(H2,29,30,33)
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| Chemical Name |
Urea, N-[4-[4-amino-1-(1-methylethyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-N′-[3-(trifluoromethyl)phenyl]-
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| Synonyms |
AD-57; AD 57; AD57; KIRA 1; KIRA-1; KIRA1;
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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 Note: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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 : ~125 mg/mL (~274.46 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (4.57 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 20.8 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: ≥ 2.08 mg/mL (4.57 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 20.8 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. View More
Solubility in Formulation 3: ≥ 2.08 mg/mL (4.57 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.1957 mL | 10.9784 mL | 21.9568 mL | |
| 5 mM | 0.4391 mL | 2.1957 mL | 4.3914 mL | |
| 10 mM | 0.2196 mL | 1.0978 mL | 2.1957 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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