| Size | Price | Stock | Qty |
|---|---|---|---|
| 1g |
|
| Targets |
2-(Dimethylphosphoryl)aniline does not have a specific biological target. It is a synthetic intermediate used to prepare pharmaceutical compounds. The compound's target is the ALK enzyme when incorporated into the final drug brigatinib, but the intermediate itself is not biologically active.
|
|---|---|
| ln Vitro |
In vitro, 2-(Dimethylphosphoryl)aniline is used as a reagent in organic synthesis. Its activity is chemical rather than biological. The compound is a key intermediate for the synthesis of brigatinib and other drug candidates.
|
| ln Vivo |
In vivo, 2-(Dimethylphosphoryl)aniline is not administered as a therapeutic agent. Its importance lies in its role as a building block for the synthesis of active pharmaceutical ingredients such as brigatinib.
|
| Enzyme Assay |
In vitro enzyme/receptor binding assays are not applicable to 2-(Dimethylphosphoryl)aniline, as it is a synthetic intermediate. Its characterization involves chemical analysis to confirm its structure and purity.
|
| Cell Assay |
In vitro cellular assays are not applicable to 2-(Dimethylphosphoryl)aniline, as it is not used directly in cell-based studies. The compound is used in chemical synthesis to produce active pharmaceutical ingredients.
|
| Animal Protocol |
In vivo animal studies are not applicable to 2-(Dimethylphosphoryl)aniline, as it is not a drug candidate. The compound is used in the synthesis of drugs that are subsequently tested in animal models.
|
| ADME/Pharmacokinetics |
Pharmacokinetic data for 2-(Dimethylphosphoryl)aniline are not relevant, as the compound is not administered as a drug. Its properties as a chemical intermediate are characterized for synthetic purposes.
|
| Toxicity/Toxicokinetics |
2-(Dimethylphosphoryl)aniline is a chemical intermediate and not a drug; therefore, toxicological data are not typically reported. The compound has GHS hazard statements H302, H315, H319, and H335, indicating it may be harmful if swallowed and may cause skin, eye, and respiratory irritation.
|
| Additional Infomation |
2-(Dimethylphosphoryl)aniline is a chemical intermediate used in the synthesis of brigatinib, an ALK inhibitor used for the treatment of non-small cell lung cancer. It is also used as a building block for other phosphine oxide and pyrimidine derivatives.
|
| Exact Mass |
169.065
|
|---|---|
| CAS # |
1197953-47-1
|
| PubChem CID |
67052743
|
| Appearance |
Typically exists as solid at room temperature
|
| Density |
1.1±0.1 g/cm3
|
| Boiling Point |
367.5±34.0 °C at 760 mmHg
|
| Flash Point |
176.1±25.7 °C
|
| Vapour Pressure |
0.0±0.8 mmHg at 25°C
|
| Index of Refraction |
1.521
|
| LogP |
-1.29
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
2
|
| Rotatable Bond Count |
1
|
| Heavy Atom Count |
11
|
| Complexity |
175
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
CP(=O)(C)C1=CC=CC=C1N
|
| InChi Key |
DHHGHQKIKXKQGJ-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C8H12NOP/c1-11(2,10)8-6-4-3-5-7(8)9/h3-6H,9H2,1-2H3
|
| Chemical Name |
2-dimethylphosphorylaniline
|
| HS Tariff Code |
2934.99.9001
|
| 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)
|
| 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
|
|---|
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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