330785-81-4

Basic information

• Product Name: (5-PyriMidinecarboxylicacid, 4-[[(3-chloro-4-Methoxyphenyl)Methyl]aMino]-2-(Methylthio)-,ethyl ester)
• Synonyms: (5-PyriMidinecarboxylicacid, 4-[[(3-chloro-4-Methoxyphenyl)Methyl]aMino]-2-(Methylthio)-,ethyl ester);4-(3-Chloro-4-Methoxy-benzylaMino)-2-Methylsulfanyl-pyriMidine-5-carboxylic acid ethyl ester;4-[[(3-Chloro-4-methoxyphenyl)methyl]amino]-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester;4-(3-chloro-4-MethoxybenzylaMino)-5-ethoxycarbonyl-2-MethylthiopyriMidine;ethyl 4-(3-chloro-4-MethoxybenzylaMino)-2-(Methylthio)pyriMidine-5-carboxylate;Ethyl 4-[(3-chloro-4-methoxybenzyl)amino]-2-(methylsulphanyl)pyrimidine-5-carboxylate, 4-[(3-Chloro-4-methoxybenzyl)amino]-5-(ethoxycarbonyl)-2-(methylthio)pyrimidine;Avanafil Intermediate II;(5-PyriMidinecarboxylicacid, 4-[[(3-chloro-4-Methoxyphenyl)Methyl]aMino]-2-(Methylthio)-,ethyl ester)###NA
• CAS NO: 330785-81-4
• Molecular Formula: C₁₆H₁₈ClN₃O₃S
• Molecular Weight: 367.85042
• EINECS: -0
• Mol File: 330785-81-4.mol
• Article Data: 15

Chemical Properties

• Boiling Point: 514.9±45.0 °C(Predicted)
• Appearance: /
• Density: 1.33±0.1 g/cm3 (20 ºC 760 Torr)
• Storage Temp.: Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
• PKA: 2.70±0.10(Predicted)
• CAS DataBase Reference: (5-PyriMidinecarboxylicacid, 4-[[(3-chloro-4-Methoxyphenyl)Methyl]aMino]-2-(Methylthio)-,ethyl ester)(CAS DataBase Reference)
• NIST Chemistry Reference: (5-PyriMidinecarboxylicacid, 4-[[(3-chloro-4-Methoxyphenyl)Methyl]aMino]-2-(Methylthio)-,ethyl ester)(330785-81-4)
• EPA Substance Registry System: (5-PyriMidinecarboxylicacid, 4-[[(3-chloro-4-Methoxyphenyl)Methyl]aMino]-2-(Methylthio)-,ethyl ester)(330785-81-4)

Safety Data

• Hazardous Substances Data: 330785-81-4(Hazardous Substances Data)

Usage

Description

(5-PyriMidinecarboxylic acid, 4-[[(3-chloro-4-Methoxyphenyl)Methyl]aMino]-2-(Methylthio)-,ethyl ester) is an organic compound that serves as an intermediate for Avanafil (A794670) derivatives. It is characterized by its unique chemical structure, which includes a pyrimidinecarboxylic acid core, a chloro-methoxyphenylmethylamino group, and a methylthiomethyl ester functional group. (5-PyriMidinecarboxylicacid, 4-[[(3-chloro-4-Methoxyphenyl)Methyl]aMino]-2-(Methylthio)-,ethyl ester) plays a crucial role in the synthesis of Avanafil, a phosphodiesterase (PDE5) inhibitor used for treating erectile dysfunction.

Uses

Used in Pharmaceutical Industry:
(5-PyriMidinecarboxylic acid, 4-[[(3-chloro-4-Methoxyphenyl)Methyl]aMino]-2-(Methylthio)-,ethyl ester) is used as a key intermediate in the synthesis of Avanafil, a PDE5 inhibitor, for the treatment of erectile dysfunction. Its role in the production of Avanafil is essential, as it contributes to the development of a medication that helps improve the quality of life for patients suffering from this condition.
Used in Research and Development:
(5-PyriMidinecarboxylicacid, 4-[[(3-chloro-4-Methoxyphenyl)Methyl]aMino]-2-(Methylthio)-,ethyl ester) is also utilized in research and development for the discovery and development of new PDE5 inhibitors and other related pharmaceuticals. Its unique chemical structure makes it a valuable tool for understanding the interactions between PDE5 enzymes and potential therapeutic agents, ultimately leading to the creation of more effective treatments for various conditions.

Upstream product

• 115514-77-7 (3-chloro-4-methoxyphenyl)methanamine 
• 5909-24-0 4-chloro-2-methanesulfanylpyrimidine-5-carboxylic acid ethyl ester 
• 41965-95-1 (3-chloro-4-methoxyphenyl)methylamine hydrogen chloride 
• 53554-29-3 ethyl 4-hydroxy-2-(methylthio)pyrimidine-5-carboxylate 
• 87-13-8 diethyl 2-ethoxymethylenemalonate 
• 330785-82-5 4-(3-chloro-4-methoxybenzylamino)-5-ethoxycarbonyl-2-methylsulfinylpyrimidine 

Downstream Products

• 330785-82-5 4-(3-chloro-4-methoxybenzylamino)-5-ethoxycarbonyl-2-methylsulfinylpyrimidine 
• 330785-85-8 [4-(3-Chloro-4-methoxy-benzylamino)-2-methylsulfanyl-pyrimidin-5-yl]-methanol 
• 372117-76-5 2-methylsulfonyl-5-ethoxycarbonyl-4-(3-chloro-4-methoxybenzylamino)pyrimidine 
• 330785-86-9 4-(3-Chloro-4-methoxy-benzylamino)-2-methylsulfanyl-pyrimidine-5-carbaldehyde 
• 330785-87-0 4-(3-Chloro-4-methoxy-benzylamino)-2-((S)-2-hydroxymethyl-pyrrolidin-1-yl)-pyrimidine-5-carbaldehyde 
• 330784-23-1 (S)-2-(2-hydroxymethyl-1-pyrrolidinyl)-4-(3-chloro-4-methoxybenzylamino)-5-acetylpyrimidine 
• 372114-66-4 [4-(3-Chloro-4-methoxy-benzyl)-2-((S)-2-hydroxymethyl-pyrrolidin-1-yl)-pyrimidin-5-yl]-pyridin-2-yl-methanone 
• 330785-94-9 1-[4-(3-Chloro-4-methoxy-benzylamino)-2-((S)-2-hydroxymethyl-pyrrolidin-1-yl)-pyrimidin-5-yl]-propenon 
• 372113-70-7 [4-(3-Chloro-4-methoxy-benzylamino)-2-methylsulfanyl-pyrimidin-5-yl]-(1-methyl-1H-imidazol-2-yl)-methanone 
• 372113-71-8 (S)-4-(3-chloro-4-methoxybenzylamino)-2-(2-hydroxymethyl-1-pyrrolidinyl)5-(1-methyl-2-imidazolylcarbonyl)pyrimidine 
• 330785-78-9 1-[4-(3-Chloro-4-methoxy-benzylamino)-2-((S)-2-hydroxymethyl-pyrrolidin-1-yl)-pyrimidin-5-yl]-3-morpholin-4-yl-propan-1-one 
• 454486-73-8 C₁₇H₁₈ClN₃O₃S 
• 454486-81-8 8-(3-Chloro-4-methoxy-benzyl)-5-methyl-2-methylsulfanyl-5,8-dihydro-6H-pyrido[2,3-d]pyrimidin-7-one 

Relevant articles and documents

A kind of avanafil impurity D and synthesis method and application thereof

The present invention provides a new aphranarfil impurity and synthesis method thereof, by synthesizing and characterizing the impurity, the structure of the impurity is determined, the drug impurity profile of avanafil is perfected, the resulting product is of high purity, can be used as a control for drug quality control research.

A process for the preparation of atorvastatin that non-intermediate and its preparation method

The invention provides a novel intermediate IV which is used for preparation of avanafil. The intermediate has a general formula IV as described in the specification; and in the general formula IV, R represents a C1-20 alkylsulfinyl group or a C1-20 alkylsulfonyl group. The intermediate has high purity, is suitable for industrial production and can be subjected to a one-step chemical reaction to prepare avanafil. The invention also provides a preparation method for the intermediate and a method for preparing avanafil from the intermediate.

Prodrugs Of Bicyclic Substituted Pyrimidine Type PDE-5 Inhibitors

Provided are prodrugs of a bicyclic substituted pyrimidine type PDE-5 inhibitors, pharmaceutically acceptable salts or stereoisomers thereof. Also provided are methods for preparing these prodrug compounds, pharmaceutical preparations, and pharmaceutical compositions, as well as a use of these compounds, pharmaceutical preparations and pharmaceutical compositions in the manufacture of medicaments for treatment and/or prophylaxis of sexual dysfunction and lower urinary tract symptoms.