330784-50-4

Basic information

• Product Name: 5-Pyrimidinecarboxamide, 2-[(2S)-2-(hydroxymethyl)-1-pyrrolidinyl]-4-[[(4-methoxyphenyl)methyl]amino]-N-(2-pyrimidinylmethyl)-
• Synonyms: 5-Pyrimidinecarboxamide, 2-[(2S)-2-(hydroxymethyl)-1-pyrrolidinyl]-4-[[(4-methoxyphenyl)methyl]amino]-N-(2-pyrimidinylmethyl)-;(R)-2-(2-(hydroxymethyl)pyrrolidin-1-yl)-4-((4-methoxybenzyl)amino)-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide;Avanafil Impurity 28
• CAS NO: 330784-50-4
• Molecular Formula: C₂₃H₂₇N₇O₃
• Molecular Weight: 449.50558
• EINECS: -0
• Mol File: 330784-50-4.mol

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 5-Pyrimidinecarboxamide, 2-[(2S)-2-(hydroxymethyl)-1-pyrrolidinyl]-4-[[(4-methoxyphenyl)methyl]amino]-N-(2-pyrimidinylmethyl)-(CAS DataBase Reference)
• NIST Chemistry Reference: 5-Pyrimidinecarboxamide, 2-[(2S)-2-(hydroxymethyl)-1-pyrrolidinyl]-4-[[(4-methoxyphenyl)methyl]amino]-N-(2-pyrimidinylmethyl)-(330784-50-4)
• EPA Substance Registry System: 5-Pyrimidinecarboxamide, 2-[(2S)-2-(hydroxymethyl)-1-pyrrolidinyl]-4-[[(4-methoxyphenyl)methyl]amino]-N-(2-pyrimidinylmethyl)-(330784-50-4)

Safety Data

• Hazardous Substances Data: 330784-50-4(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
5-Pyrimidinecarboxamide, 2-[(2S)-2-(hydroxymethyl)-1-pyrrolidinyl]-4-[[(4-methoxyphenyl)methyl]amino]-N-(2-pyrimidinylmethyl)is used as a potential therapeutic agent for the treatment of various diseases. Its unique molecular structure allows it to interact with specific biological targets, making it a promising candidate for drug development.
Used in Chemical Research:
In the field of chemical research, this compound can be used as a starting material or intermediate for the synthesis of other complex molecules with potential applications in various industries, such as pharmaceuticals, agrochemicals, and materials science.
Used in Drug Delivery Systems:
Similar to gallotannin, 5-Pyrimidinecarboxamide, 2-[(2S)-2-(hydroxymethyl)-1-pyrrolidinyl]-4-[[(4-methoxyphenyl)methyl]amino]-N-(2-pyrimidinylmethyl)can be incorporated into drug delivery systems to improve the bioavailability and therapeutic outcomes of other drugs. Its specific chemical properties may enable it to enhance the delivery and efficacy of certain pharmaceutical agents.

Upstream product

• 476449-27-1 (S)-2-(2-hydroxymethyl-1-pyrrolidinyl)-4-phenylthio-5-[N-(2-pyrimidylmethyl)carbamoyl]pyrimidine 
• 2393-23-9 4-methoxy-benzylamine 
• 211230-35-2 4-(4-methoxybenzylamino)-2-methanesulfanyl-pyrimidine-5-carboxylic acid ethyl ester 
• 75985-45-4 2-aminomethylpyrimidine 
• 53554-29-3 ethyl 4-hydroxy-2-(methylthio)pyrimidine-5-carboxylate 
• 5909-24-0 4-chloro-2-methanesulfanylpyrimidine-5-carboxylic acid ethyl ester 

Relevant articles and documents

Identification, synthesis and characterization of avanafil process impurities and determination by UPLC

Avanafil is a phosphodiesterase type 5 inhibitor which is used to treat erectile dysfunction in men. The process-related impurities of avanafil were investigated, and four kinds of impurities in several laboratory batches with a content of 0.29-1.63% were detected by the newly developed gradient ultra-high performance liquid chromatography (UPLC). Based on the synthesis route and UPLC-MS research, the impurities are inferred as Imp-A, Imp-B, Imp-C and Imp-D. The structures of the impurities were inferred from LC-MS studies and confirmed by synthesis, followed by spectroscopic characterization such as NMR and mass spectrometry. Especially, the synthesis of Imp-D is firstly reported. The drug-related substances can be separated well by efficient and selective ultra-high performance liquid chromatography on a Waters ACQUITY HSS C18 (50 × 2.1 mm, particle size 1.8 μm) column at 35 °C, with the mobile phase consisting of ammonium formate (20 mM) and acetonitrile, and the detection at 239 nm with a DAD detector. The method was validated in terms of specificity, linearity, precision, accuracy and sensitivity, and satisfactory results were obtained. The results indicated this developed UPLC method for avanafil and the proposed synthesis mechanism can be used for quality control purposes as required by regulatory agencies to ensure the safety and efficacy of the product.

Aromatic nitrogen-containing 6-membered cyclic compounds

An aromatic nitrogen-containing 6-membered cyclic compound of the formula (I): wherein Ring A is a substituted or unsubstituted nitrogen-containing heterocyclic group; R1 is a substituted or unsubstituted lower alkyl group, —NH—Q—R3 (R3 is a substituted or unsubstituted nitrogen containing heterocyclic group, and Q is a lower alkylene group or a single bond), or —NH—R4 (R4 is a substituted or unsubstituted cycloalkyl group); R2 is a substituted or unsubstituted aryl group; one of Y and Z is ═CH—, and the other is ═N—, or a pharmaceutically acceptable salt thereof, these compounds exhibiting excellent selective PDE V inhibitory activities, and hence, being useful in the prophylaxis or treatment of penile erectile dysfunction, etc.