180059-04-5

Basic information

• Product Name: 1H-Pyrrole-2,4-dicarboxylicacid,3-amino-,dimethylester(9CI)
• Synonyms: 1H-Pyrrole-2,4-dicarboxylicacid,3-amino-,dimethylester(9CI);2,4-Dimethyl 3-amino-1H-pyrrole-2,4-dicarboxylate;Dimethyl 3-Aminopyrrole-2,4-dicarboxylate
• CAS NO: 180059-04-5
• Molecular Formula: C₈H₁₀N₂O₄
• Molecular Weight: 198.18
• Product Categories: AMINOACID
• Mol File: 180059-04-5.mol
• Article Data: 5

Chemical Properties

• Melting Point: 165-166 °C
• Boiling Point: 395.696°C at 760 mmHg
• Flash Point: 193.11°C
• Appearance: /
• Density: 1.359g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.579
• PKA: 14.26±0.50(Predicted)
• CAS DataBase Reference: 1H-Pyrrole-2,4-dicarboxylicacid,3-amino-,dimethylester(9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: 1H-Pyrrole-2,4-dicarboxylicacid,3-amino-,dimethylester(9CI)(180059-04-5)
• EPA Substance Registry System: 1H-Pyrrole-2,4-dicarboxylicacid,3-amino-,dimethylester(9CI)(180059-04-5)

Safety Data

• Hazardous Substances Data: 180059-04-5(Hazardous Substances Data)

Usage

Description

1H-Pyrrole-2,4-dicarboxylic acid, 3-amino-, dimethyl ester (9CI) is a chemical compound belonging to the pyrrole family, characterized by its molecular formula C8H10N2O4 and a molecular weight of 190.17 g/mol. 1H-Pyrrole-2,4-dicarboxylicacid,3-amino-,dimethylester(9CI) is a dimethyl ester derivative of 1H-Pyrrole-2,4-dicarboxylic acid, featuring an amino group at the 3rd position. It is recognized for its potential biological activity and versatile applications in chemical synthesis and pharmaceutical development.

Uses

Used in Chemical Synthesis:
1H-Pyrrole-2,4-dicarboxylic acid, 3-amino-, dimethyl ester (9CI) is used as a building block in the synthesis of various organic compounds. Its unique structure allows for the creation of a wide range of chemical entities, making it a valuable component in the development of new materials and molecules.
Used in Pharmaceutical Development:
In the pharmaceutical industry, 1H-Pyrrole-2,4-dicarboxylic acid, 3-amino-, dimethyl ester (9CI) serves as a precursor in the production of drugs. Its presence in the molecular structure can contribute to the therapeutic properties of medications, potentially leading to the discovery of new treatments for various diseases and conditions.
Used in Drug Discovery:
1H-Pyrrole-2,4-dicarboxylicacid,3-amino-,dimethylester(9CI)'s potential biological activity positions 1H-Pyrrole-2,4-dicarboxylic acid, 3-amino-, dimethyl ester (9CI) as a candidate for drug discovery. Researchers can explore its interactions with biological targets to identify possible applications in therapeutic interventions, further expanding its utility in the healthcare sector.

InChI:InChI=1/C8H10N2O4/c1-13-7(11)4-3-10-6(5(4)9)8(12)14-2/h3,10H,9H2,1-2H3

Upstream product

• 67-56-1 methanol 
• 6829-40-9 aminomalonic acid diethyl ester 
• 94-05-3 ethyl (ethoxymethylene)cyanoacetate 
• 13433-00-6 diethyl aminomalonate hydrochloride 
• 124-41-4 sodium methylate 
• 42466-67-1 ethyl (ethoxymethylene)cyanoacetate 

Downstream Products

• 364046-18-4 1S-5-O-tert-butyldimethylsilyl-1,4-dideoxy-1-C-[(4-methyoxypyrrolo[3,2-d]pyrimidin-9-N-(benzyloxomethyl)-7-yl)]-1,4-imino-2,3-O-isopropylidine-D-ribitol 
• 299916-62-4 7-N-benzyloxymethyl-9-bromo-9-deaza-6-O-methylhypoxanthine 
• 5655-01-6 9-deazahypoxanthine 
• 1026012-16-7 5-(benzyloxymethyl)-4-methoxy-5H-pyrrolo[3,2-d]pyrimidine 
• 364046-19-5 1S-N-tert-butoxycarbonyl-5-O-tert-butyldimethylsilyl-1,4-dideoxy-1-C-[(4-methyoxypyrrolo[3,2-d]pyrimidin-9-N-(benzyloxomethyl)-7-yl)]-1,4-imino-2,3-O-isopropylidine-D-ribitol 
• 402477-37-6 (2S,3S,4R,5R)-tert-butyl 2-(5-(benzyloxymethyl)-4-methoxy-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidine-1-carboxylate 
• 917595-31-4 (6aR,8S,9S,9aR)-tert-butyl 8-(5-(benzyloxymethyl)-4-methoxy-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-9-hydroxy-2,2,4,4-tetraisopropyltetrahydro-[1,3,5,2,4]trioxadisilocino[7,6-b]pyrrole-7(8H)-carboxylate 
• 1163713-16-3 (6aR,8S,9R,9aR)-tert-butyl 8-(5-(benzyloxymethyl)-4-methoxy-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-9-hydroxy-2,2,4,4-tetraisopropyltetrahydro[1,3,5,2,4]trioxadisilocino[7,6-d]pyrrole-7(8H)-carboxylate 
• 402477-42-3 (2S,3S,4R,5R)-tert-butyl 2-(5-((benzyloxy)methyl)-4-methoxy-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3,4-dihydroxy-5-((trityloxy)methyl)pyrrolidine-1-carboxylate 
• 577978-31-5 (2S,3S,4R,5R)-tert-butyl 2-(5-((benzyloxy)methyl)-4-methoxy-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3-hydroxy-4-((4-methoxybenzyl)oxy)-5-((trityloxy)methyl)pyrrolidine-1-carboxylate 
• 402477-45-6 (2S,3S,4R,5R)-tert-butyl 2-(5-((benzyloxy)methyl)-4-methoxy-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-4-hydroxy-3-((4-methoxybenzyl)oxy)-5-((trityloxy)methyl)pyrrolidine-1-carboxylate 
• 1163713-17-4 (2S,3S,4S,5R)-tert-butyl 2-(5-((benzyloxy)methyl)-4-methoxy-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-4-hydroxy-3-((4-methoxybenzyl)oxy)-5-((trityloxy)methyl)pyrrolidine-1-carboxylate 
• 779326-74-8 4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid methyl ester 
• 65996-58-9 9-deazaguanine 

Relevant articles and documents

A short, facile synthesis of 2-amino-1,5-dihydro-4H-pyrrolo[3,2-d]- pyrimidin-4-one (9-deazaguanine)

9-Deazaguanine has been synthesized in four steps in an overall isolated yield of 18% from ethyl (ethoxymethylene)cyanoacetate and diethyl aminomalonate.

COMPOSITIONS AND METHODS FOR INHIBITING VIRAL POLYMERASE

Provided are compounds of Formula (I) as described herein. Compounds of Formula (I) are useful in methods of inhibiting viral RNA polymerase activity and viral replication. Also provided are pharmaceutical compositions comprising compounds of Formula (I), as well as methods of treating viral infections using compounds of Formula (I).

Carboxy pyrrole, process of preparing and use as precursor

4-Oxo-4,5-dihydro-3H-pyrrolo[3,2-d] pyrimidine-7-carboxylic acid methyl ester and process for preparing are provided. The 4-oxo-4,5-dihydro-3H-pyrrole[3,2-d] pyrimidine-7-carboxylic acid methyl ester is useful as a precursor for providing 9-deaza-hypoxanthine, a key intermediate for producing certain PNP inhibitors.