1005326-26-0

Basic information

• Product Name: 1H-Pyrrole-2-carboxylic acid, 3-aMino-5-Methyl-, ethyl ester
• Synonyms: 1H-Pyrrole-2-carboxylic acid, 3-aMino-5-Methyl-, ethyl ester;ethyl 3-aMino-5-Methyl-1H-pyrrole-2-carboxylate
• CAS NO: 1005326-26-0
• Molecular Formula: C8H12N2O2
• Molecular Weight: 168.19308
• EINECS: 937-359-6
• Mol File: 1005326-26-0.mol

Chemical Properties

• Melting Point: 85-87 °C
• Boiling Point: 324.3±37.0 °C(Predicted)
• Appearance: /
• Density: 1.195±0.06 g/cm3(Predicted)
• Storage Temp.: 2-8°C
• PKA: 16.66±0.50(Predicted)
• CAS DataBase Reference: 1H-Pyrrole-2-carboxylic acid, 3-aMino-5-Methyl-, ethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 1H-Pyrrole-2-carboxylic acid, 3-aMino-5-Methyl-, ethyl ester(1005326-26-0)
• EPA Substance Registry System: 1H-Pyrrole-2-carboxylic acid, 3-aMino-5-Methyl-, ethyl ester(1005326-26-0)

Safety Data

• Hazardous Substances Data: 1005326-26-0(Hazardous Substances Data)

Usage

Uses

Used in Chemical Synthesis:
1H-Pyrrole-2-carboxylic acid, 3-amino-5-methyl-, ethyl ester is used as a building block for the synthesis of various complex organic molecules. Its multiple reactive sites facilitate the creation of new compounds with potential applications in pharmaceuticals, materials science, and other fields.
Used in Pharmaceutical Research:
In the pharmaceutical industry, 1H-Pyrrole-2-carboxylic acid, 3-amino-5-methyl-, ethyl ester is used as a key intermediate in the development of new drugs. Its structural features allow for the design of molecules with specific biological activities, targeting a range of therapeutic areas.
Used in Material Science:
1H-Pyrrole-2-carboxylic acid, 3-amino-5-methyl-, ethyl ester is used as a component in the formulation of advanced materials. Its ability to participate in various chemical reactions enables the creation of materials with tailored properties, such as improved conductivity or enhanced stability.
Used in Analytical Chemistry:
As a reagent or a reference compound, 1H-Pyrrole-2-carboxylic acid, 3-amino-5-methyl-, ethyl ester is used in analytical chemistry for the identification and quantification of substances. Its unique chemical properties can be exploited to develop new analytical methods or improve existing ones.

Upstream product

• 1005326-24-8 diethyl {[(E/Z)-2-cyano-1-methylvinyl]amino}malonate 
• 13433-00-6 diethyl aminomalonate hydrochloride 

Downstream Products

• 41040-24-8 4-chloro-2,6-dimethyl-5H-pyrrolo[3,2-d]pyrimidine 
• 82722-95-0 2,6-dimethyl-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one 
• 1268511-81-4 7-Bromo-4-chloro-2,6-dimethyl-5H-pyrrolo[3,2-d]pyrimidine 
• 2227425-05-8 (S)-3-chloro-7-(2-(hydroxymethyl)morpholino)-2-methyl-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-6-carbonitrile 
• 2227425-05-8 (R)-3-chloro-7-(2-(hydroxymethyl)morpholino)-2-methyl-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-6-carbonitrile 
• 1375065-56-7 7-hydroxy-2-methyl-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-6-carbonitrile 
• 1268521-89-6 7-chloro-2-methyl-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-6-carbonitrile 

Relevant articles and documents

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Design, synthesis, and biological evaluation of classical and nonclassical 2-amino-4-oxo-5-substituted-6-methylpyrrolo[3,2-d]pyrimidines as dual thymidylate synthase and dihydrofolate reductase inhibitors

We designed and synthesized a classical antifolate N-{4-[(2-amino-6-methyl- 4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)methyl]benzoyl}-L-glutamic acid 4 and 11 nonclassical analogues 5-15 as potential dual thymidylate synthase (TS) and dihydrofolate reductase (DHFR) inhibitors. The key intermediate in the synthesis was N-(4-chloro-6-methyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)-2,2- dimethylpropanamide, 29, to which various 5-benzyl substituents were attached. For the classical analogue 4, the ester obtained from the N-benzylation reaction was deprotected and coupled with diethyl L-glutamate followed by saponification. Compound 4 was a potent dual inhibitor of human TS (IC 50 = 46 nM, about 206-fold more potent than pemetrexed) and DHFR (IC50 = 120 nM, about 55-fold more potent than pemetrexed). The nonclassical analogues were marginal inhibitors of human TS, but four analogues showed potent T. gondii DHFR inhibition along with >100-fold selectivity compared to human DHFR.