606080-73-3

Basic information

• Product Name: Istradefylline Impurity 2
• Synonyms: Istradefylline Impurity 2
• CAS NO: 606080-73-3
• Molecular Formula: C20H24N4O4
• Molecular Weight: 384.42896
• Mol File: 606080-73-3.mol
• Article Data: 21

Chemical Properties

• Melting Point: 134-135 °C(Solv: toluene (108-88-3))
• Boiling Point: 601.0±65.0 °C(Predicted)
• Appearance: /
• Density: 1.24±0.1 g/cm3(Predicted)
• PKA: 0.47±0.70(Predicted)
• CAS DataBase Reference: Istradefylline Impurity 2(CAS DataBase Reference)
• NIST Chemistry Reference: Istradefylline Impurity 2(606080-73-3)
• EPA Substance Registry System: Istradefylline Impurity 2(606080-73-3)

Safety Data

• Hazardous Substances Data: 606080-73-3(Hazardous Substances Data)

Usage

General Description

Istradefylline Impurity 2 is an intermediate compound used in the production of the drug Istradefylline, which is used for the treatment of Parkinson's disease. It is a chemical byproduct that is formed during the synthesis of Istradefylline and is categorized as an impurity. Istradefylline Impurity 2 is important for quality control and analytical testing of the final drug product, as it must be closely monitored and controlled to ensure the safety and efficacy of the medication. This impurity is a key part of the manufacturing process for Istradefylline and is closely regulated to ensure that the final drug product is of the highest quality.

Upstream product

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• 616-38-6 carbonic acid dimethyl ester 
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• 187393-68-6 (E)-N-(6-amino-1,3-diethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-3-(3,4-dimethoxyphenyl)propenamide 
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• 14737-89-4 3,4-dimethoxy-trans-cinnamic acid 
• 155270-99-8 istradefylline 
• 6380-23-0 3,4-dimethoxystyrene 
• 77-78-1 dimethyl sulfate 
• 1785764-26-2 5,6-diamino-1,3-diethylpyrimidine-2,4-(1H,3H)-dione hydrochloride 
• 120-14-9 3,4-dimethoxy-benzaldehyde 

Downstream Products

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Relevant articles and documents

Synthetic method of istradefylline

The invention discloses a synthetic method of istradefylline, and belongs to the technical field of medicines. The synthesis method of the istradefylline mainly comprises the steps of acylation, ringclosing, methylation and the like. The method is high in yield, simple in step and single in solvent, wherein reaction selectivity can be effectively promoted and side reactions are reduced; after ring closing is finished, dimethyl sulfate is dropwise added for a methylation reaction by means of the alkalinity of dimethyl sulfate. The method can be more thorough and cleaner than a dimethyl carbonate reaction in the prior art. The whole process can be carried out in one reaction kettle, wherein the solvent only relates to ethanol and subsequently refined methanol and can be recycled, so that the synthesis method has advantages of high reaction selectivity and yield.

Istradefylline preparation method

The invention provides an istradefylline preparation method. 1,3-diethyl-5,6-diaminouracil used as a starting material undergoes an acylation reaction, a ring formation reaction and a methylation reaction to prepare istradefylline. The ring formation reaction and the methylation reaction are carried out simultaneously, an istradefylline intermediate (E)-1,3-diethyl-6-amino-5-(3,4-dimethoxyphenylacryloyl)aminouracil is reacted by adding a methylating agent in an alkaline environment, and the obtained solution is filtered and crystallized to obtain the istradefylline. The ring formation and themethylation are simultaneously carried out, and the methylation is immediately carried out after the completion of the ring formation to promote the forward proceeding, so the yield of the product isincreased, large amounts of organic solvents are saved, and the generation amount of an organic waste liquid is reduced; and the method has the advantages of simplicity in operation, and high reactionconversion rate, and allows the purity of the product to be higher than 99%.

For treating Parkinson drug Iraq curved tea alkali preparation method of crystal form II (by machine translation)

The invention discloses a method for treating Parkinson's drug Iraq curved tea preparation method of alkali crystalline form II, Iraq and curved theophylline with the mixed solvent after mixing, heating to 70 - 90 °C dissolved, then rapidly cooling to 0 - 5 °C, crystallization, to obtain the treatment of Parkinson's drug Iraq curved tea alkali crystalline form II; the invention for the treatment of Parkinson's drug Iraq curved tea alkali crystalline form II, its stability and the prior of the Iraqi curved tea alkali crystalline form II considerable, but yield and purity higher, greatly improves the quality of the product, and can improve its bioavailability, conducive to its pharmaceutical processing and in the use of the drug combination in, at the same time can provide qualitative and quantitative information, to further study the solid curative effect of the medicament has important significance. (by machine translation)