55817-72-6

Basic information

• Product Name: 2-AMINO-1-BENZYL-4,5-DIMETHYL-1H-PYRROLE-3-CARBONITRILE
• Synonyms: 2-AMINO-1-BENZYL-4,5-DIMETHYL-1H-PYRROLE-3-CARBONITRILE
• CAS NO: 55817-72-6
• Molecular Formula: C₁₄H₁₅N₃
• Molecular Weight: 225.29
• Mol File: 55817-72-6.mol
• Article Data: 3

Chemical Properties

• Melting Point: 152-155°C
• Boiling Point: 433.1°Cat760mmHg
• Flash Point: 215.7°C
• Appearance: /
• Density: 1.1g/cm³
• Vapor Pressure: 1.05E-07mmHg at 25°C
• Refractive Index: 1.597
• CAS DataBase Reference: 2-AMINO-1-BENZYL-4,5-DIMETHYL-1H-PYRROLE-3-CARBONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-AMINO-1-BENZYL-4,5-DIMETHYL-1H-PYRROLE-3-CARBONITRILE(55817-72-6)
• EPA Substance Registry System: 2-AMINO-1-BENZYL-4,5-DIMETHYL-1H-PYRROLE-3-CARBONITRILE(55817-72-6)

Safety Data

• Hazard Codes: T
• Statements: 25-36
• Safety Statements: 26-45
• HazardClass: IRRITANT
• Hazardous Substances Data: 55817-72-6(Hazardous Substances Data)

Usage

General Description

2-AMINO-1-BENZYL-4,5-DIMETHYL-1H-PYRROLE-3-CARBONITRILE is a chemical compound with the molecular formula C15H16N4. It is a pyrrole derivative containing a benzyl group and two methyl groups attached to the pyrrole ring. 2-AMINO-1-BENZYL-4,5-DIMETHYL-1H-PYRROLE-3-CARBONITRILE is commonly used in organic synthesis and pharmaceutical research due to its potential biological activities and pharmacological properties. It has been studied for its potential as an anticancer agent, and its structure makes it suitable for further modification and development of new drugs. Additionally, its ability to act as a ligand for various receptors and enzymes makes it a valuable tool in drug discovery and medicinal chemistry.

InChI:InChI=1/C14H15N3/c1-10-11(2)17(14(16)13(10)8-15)9-12-6-4-3-5-7-12/h3-7H,9,16H2,1-2H3

Upstream product

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Downstream Products

• 478033-10-2 N-(1-benzyl-3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-N-(methylsulfonyl)methanesulfonamide 
• 1179316-45-0 N'-(1-benzyl-3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-N,N-dimethylethanimidamide 
• 173458-77-0 7-benzyl-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-ol 
• 173458-86-1 (7-Benzyl-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-(3,5-dichloro-phenyl)-amine 
• 1027236-75-4 (7-Benzyl-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-(3-chloro-phenyl)-methyl-amine 
• 173458-84-9 4-(m-Bromoanilino)-5,6-dimethyl-7-benzyl-pyrrolo[2,3-d]pyrimidine 
• 173458-83-8 4-(m-chloroanilino)-5,6-dimethyl-7-benzyl-pyrrolo[2,3-d]pyrimidine 
• 173458-85-0 4-(m-Fluoroanilino)-5,6-dimethyl-7-benzyl-pyrrolo[2,3-d]pyrimidine 

Relevant articles and documents

Discovery and Optimization of Pyrrolopyrimidine Inhibitors of Interleukin-1 Receptor Associated Kinase 4 (IRAK4) for the Treatment of Mutant MYD88L265P Diffuse Large B-Cell Lymphoma

Herein we report the optimization of a series of pyrrolopyrimidine inhibitors of interleukin-1 receptor associated kinase 4 (IRAK4) using X-ray crystal structures and structure based design to identify and optimize our scaffold. Compound 28 demonstrated a favorable physicochemical and kinase selectivity profile and was identified as a promising in vivo tool with which to explore the role of IRAK4 inhibition in the treatment of mutant MYD88L265P diffuse large B-cell lymphoma (DLBCL). Compound 28 was shown to be capable of demonstrating inhibition of NF-κB activation and growth of the ABC subtype of DLBCL cell lines in vitro at high concentrations but showed greater effects in combination with a BTK inhibitor at lower concentrations. In vivo, the combination of compound 28 and ibrutinib led to tumor regression in an ABC-DLBCL mouse model.

PYRROLOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS

The present invention relates to novel pyrrolopyrimidine compounds and pharmaceutical compositions comprising said pyrrolopyrimidine compounds. Moreover, the present invention relates to the use of the pyrrolopyrimidine compounds of the invention for the