| Size | Price | Stock | Qty |
|---|---|---|---|
| 500mg |
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| 1g |
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| Targets |
2,5-Dichloro-N-(2-(dimethylphosphoryl)phenyl)pyrimidin-4-amine is a synthetic intermediate used to prepare active pharmaceutical ingredients. The compound's target is related to its use in the synthesis of AP26113 (brigatinib), an ALK inhibitor. The intermediate itself is not biologically active.
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|---|---|
| ln Vitro |
In vitro, 2,5-Dichloro-N-(2-(dimethylphosphoryl)phenyl)pyrimidin-4-amine has been shown to have an IC50 of <100 nM in Ba/F3 cells. This indicates that the compound or its derivatives have activity in cell-based assays. The compound is used as an intermediate in the synthesis of drugs with anticancer activity.
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| ln Vivo |
In vivo, 2,5-Dichloro-N-(2-(dimethylphosphoryl)phenyl)pyrimidin-4-amine has been shown to be effective in treating lung cancer in animal models. It has also been shown to be effective against lymphoma and leukemia. These effects are attributed to the drug (brigatinib) synthesized from this intermediate.
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| Enzyme Assay |
In vitro enzyme/receptor binding assays are not applicable to 2,5-Dichloro-N-(2-(dimethylphosphoryl)phenyl)pyrimidin-4-amine as a target itself. However, the compound's activity in Ba/F3 cells (IC50 <100 nM) suggests it or its derivatives interact with cellular targets.
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| Cell Assay |
In vitro cellular assays for 2,5-Dichloro-N-(2-(dimethylphosphoryl)phenyl)pyrimidin-4-amine involve testing its activity in cell lines such as Ba/F3 cells. The compound's effects on cell viability and proliferation can be assessed. Its role as an intermediate in the synthesis of anticancer drugs is well established.
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| Animal Protocol |
In vivo animal studies for 2,5-Dichloro-N-(2-(dimethylphosphoryl)phenyl)pyrimidin-4-amine have demonstrated its efficacy in treating lung cancer, lymphoma, and leukemia in animal models. These studies support its use as an intermediate for the development of anticancer therapeutics.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for 2,5-Dichloro-N-(2-(dimethylphosphoryl)phenyl)pyrimidin-4-amine are not relevant, as the compound is not administered as a drug. Its properties as a chemical intermediate are characterized for synthetic purposes.
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| Toxicity/Toxicokinetics |
2,5-Dichloro-N-(2-(dimethylphosphoryl)phenyl)pyrimidin-4-amine is a chemical intermediate and not a drug; therefore, comprehensive toxicological data are not typically reported. The compound is intended for research use only. Standard safety precautions should be taken when handling the compound.
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| Additional Infomation |
2,5-Dichloro-N-(2-(dimethylphosphoryl)phenyl)pyrimidin-4-amine is a chemical intermediate known as AP26113 intermediate 1, used in the synthesis of the ALK inhibitor brigatinib (AP26113). The compound has demonstrated efficacy in animal models of lung cancer, lymphoma, and leukemia.
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| Exact Mass |
315.009
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|---|---|
| CAS # |
1197953-49-3
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| PubChem CID |
88853985
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| Appearance |
Typically exists as solid at room temperature
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| Density |
1.4±0.1 g/cm3
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| Boiling Point |
527.5±50.0 °C at 760 mmHg
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| Flash Point |
272.8±30.1 °C
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| Vapour Pressure |
0.0±1.4 mmHg at 25°C
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| Index of Refraction |
1.597
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| LogP |
1.5
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
19
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| Complexity |
352
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CP(=O)(C)C1=CC=CC=C1NC2=NC(=NC=C2Cl)Cl
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| InChi Key |
XIKUAKVCJMVXCI-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C12H12Cl2N3OP/c1-19(2,18)10-6-4-3-5-9(10)16-11-8(13)7-15-12(14)17-11/h3-7H,1-2H3,(H,15,16,17)
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| Chemical Name |
2,5-dichloro-N-(2-dimethylphosphorylphenyl)pyrimidin-4-amine
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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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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.
Products are for research use only; We do not sell to patients
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