1152475-62-1

Basic information

• Product Name: 2-chloro-7-iodo-5-Methyl-5H-pyrrolo[3,2-d]pyriMidine
• Synonyms: 2-chloro-7-iodo-5-Methyl-5H-pyrrolo[3,2-d]pyriMidine;5H-Pyrrolo[3,2-d]pyrimidine, 2-chloro-7-iodo-5-methyl-
• CAS NO: 1152475-62-1
• Molecular Formula: C₇H₅ClIN₃
• Molecular Weight: 293.49217
• Mol File: 1152475-62-1.mol
• Article Data: 3

Chemical Properties

• Appearance: /
• Density: 2.18±0.1 g/cm3(Predicted)
• Storage Temp.: 2-8°C
• PKA: 2.61±0.40(Predicted)
• CAS DataBase Reference: 2-chloro-7-iodo-5-Methyl-5H-pyrrolo[3,2-d]pyriMidine(CAS DataBase Reference)
• NIST Chemistry Reference: 2-chloro-7-iodo-5-Methyl-5H-pyrrolo[3,2-d]pyriMidine(1152475-62-1)
• EPA Substance Registry System: 2-chloro-7-iodo-5-Methyl-5H-pyrrolo[3,2-d]pyriMidine(1152475-62-1)

Safety Data

• Hazardous Substances Data: 1152475-62-1(Hazardous Substances Data)

Usage

General Description

2-Chloro-7-iodo-5-methyl-5H-pyrrolo[3,2-d]pyrimidine is a chemical compound that belongs to the pyrrolopyrimidine class of molecules. It is a heterocyclic aromatic compound with a pyrrolopyrimidine backbone and chlorine and iodine substituents at specific positions. 2-Chloro-7-iodo-5-methyl-5H-pyrrolo[3,2-d]pyrimidine has potential applications in medicinal chemistry and pharmaceuticals due to its ability to interact with biological targets and modulate cellular processes. Its unique structure and properties make it a valuable tool in drug discovery and development, particularly in the search for novel therapies for various diseases. Further research and study may uncover additional uses and benefits of this compound in the field of chemical and pharmaceutical sciences.

Upstream product

• 1152475-50-7 2-chloro-7-iodo-5H-pyrrolo[3,2-d]pyrimidine 
• 74-88-4 methyl iodide 

Downstream Products

• 1152475-64-3 N-[3-(2-chloro-5-methyl-5H-pyrrolo[3,2-d]pyrimidin-7-yl)phenyl]methanesulfonamide 

Relevant articles and documents

Discovery of 3-Cyano- N-(3-(1-isobutyrylpiperidin-4-yl)-1-methyl-4-(trifluoromethyl)-1 H-pyrrolo[2,3- b]pyridin-5-yl)benzamide: A Potent, Selective, and Orally Bioavailable Retinoic Acid Receptor-Related Orphan Receptor C2 Inverse Agonist

The nuclear hormone receptor retinoic acid receptor-related orphan C2 (RORC2, also known as RORγt) is a promising target for the treatment of autoimmune diseases. A small molecule, inverse agonist of the receptor is anticipated to reduce production of IL-17, a key proinflammatory cytokine. Through a high-throughput screening approach, we identified a molecule displaying promising binding affinity for RORC2, inhibition of IL-17 production in Th17 cells, and selectivity against the related RORA and RORB receptor isoforms. Lead optimization to improve the potency and metabolic stability of this hit focused on two key design strategies, namely, iterative optimization driven by increasing lipophilic efficiency and structure-guided conformational restriction to achieve optimal ground state energetics and maximize receptor residence time. This approach successfully identified 3-cyano-N-(3-(1-isobutyrylpiperidin-4-yl)-1-methyl-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide as a potent and selective RORC2 inverse agonist, demonstrating good metabolic stability, oral bioavailability, and the ability to reduce IL-17 levels and skin inflammation in a preclinical in vivo animal model upon oral administration.

N-CONTAINING HETEROCYCLIC COMPOUNDS

The present invention relates to N-containing heterocyclic compounds that are inhibitors of protein kinases including JAK kinases. In particular, the compounds are selective for JAK1, JAK2, JAK3 or TYK2 kinases and combinations thereof such as JAK1 and JAK2. The kinase inhibitors can be used in the treatment of kinase associated diseases such as immunological and inflammatory diseases including organ transplants; hyperproliferative diseases including cancer and myeloproliferative diseases; viral diseases; metabolic diseases; and vascular diseases.