27382-01-0

Basic information

• Product Name: 4-CHLORO-1-METHYL-1H-PYRROLO[3,2-C]PYRIDINE
• Synonyms: 4-CHLORO-1-METHYL-1H-PYRROLO[3,2-C]PYRIDINE
• CAS NO: 27382-01-0
• Molecular Formula: C₈H₇ClN₂
• Molecular Weight: 166.61
• Product Categories: Heterocycles series;Fused Ring Systems;Halides
• Mol File: 27382-01-0.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 312.026 °C at 760 mmHg
• Flash Point: 142.509 °C
• Appearance: /
• Density: 1.3 g/cm³
• Vapor Pressure: 0.001mmHg at 25°C
• Refractive Index: 1.633
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• PKA: 5.27±0.10(Predicted)
• CAS DataBase Reference: 4-CHLORO-1-METHYL-1H-PYRROLO[3,2-C]PYRIDINE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-CHLORO-1-METHYL-1H-PYRROLO[3,2-C]PYRIDINE(27382-01-0)
• EPA Substance Registry System: 4-CHLORO-1-METHYL-1H-PYRROLO[3,2-C]PYRIDINE(27382-01-0)

Safety Data

• Hazardous Substances Data: 27382-01-0(Hazardous Substances Data)

Usage

General Description

4-CHLORO-1-METHYL-1H-PYRROLO[3,2-C]PYRIDINE is a chemical compound with the molecular formula C8H7ClN2. It is a chlorinated derivative of 1-methyl-1H-pyrrolo[3,2-c]pyridine and is commonly used in medicinal chemistry for the development of pharmaceutical drugs. 4-CHLORO-1-METHYL-1H-PYRROLO[3,2-C]PYRIDINE is known for its potential therapeutic applications, particularly in the treatment of neurological disorders and cancer. Its unique molecular structure and properties make it a valuable building block in the synthesis of various biologically active molecules. However, it is important to handle and use this chemical with caution due to its potential health and environmental hazards.

InChI:InChI=1/C8H7ClN2/c1-11-5-3-6-7(11)2-4-10-8(6)9/h2-5H,1H3

Upstream product

• 27381-99-3 1-methyl-1H-pyrrolo[3,2-c]pyridin-4(5H)-one 
• 60290-21-3 4-chloro-1H-pyrrolo-[3,2-c]-pyridine 
• 74-88-4 methyl iodide 

Downstream Products

• 86518-16-3 1,1-Bis-(4-chloro-1-methyl-1H-pyrrolo[3,2-c]pyridin-2-yl)-ethanol 
• 86518-14-1 acetyl-2 chloro-4 pyrrolo<3,2-c>pyridine 
• 97989-41-8 4-chloro-3-formyl-1-methylpyrrolo<3,2-c>pyridine 
• 86518-12-9 methyl-1 formyl-2 chloro-4 pyrrolo<3,2-c>pyridine 
• 102998-39-0 methyl-1 (α-phenyl α-hydroxy)ethyl-2 chloro-4 pyrrolo<3,2-c>pyridine 
• 102839-56-5 4-amino-1-methyl-1H-pyrrolo<3,2-c>pyridine 
• 24331-97-3 1-methyl-1H-pyrrolo<3,2-c>pyridine 
• 102998-45-8 phenyl-1 (methyl-1' dihydro-4',5' oxo-4' pyrrolo<3,2-c>pyridyl-2')-1 ethylene 
• 102998-44-7 phenyl-1 (methyl-1' chloro-4' pyrrolo<3,2-c>pyridyl-2')-1 ethylene 
• 102998-53-8 methyl-1 (α-phenyl)ethyl-2 chloro-4 pyrrolo<3,2-c>pyridine 
• 102998-50-5 1-Methyl-2-(1-phenyl-ethyl)-1,5-dihydro-pyrrolo[3,2-c]pyridin-4-one 
• 102998-47-0 p-methoxyphenyl-1 (methyl-1' dihydro-4',5' oxo-4' pyrrolo<3,2-c>pyridyl-2')-1 ethylene 
• 102998-46-9 p-methoxyphenyl-1 (methyl-1' chloro-4' pyrrolo<3,2-c>pyridyl-2')-1 ethylene 
• 102998-56-1 methyl-1 (α-phenyl)ethyl-2 formyl-3 chloro-4 pyrrolo<3,2-c>pyridine 

Relevant articles and documents

Design and Synthesis of Pyrrolo[2,3-d]pyrimidine-Derived Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Checkpoint Kinase 1 (CHK1)-Derived Crystallographic Surrogate

Inhibitors of leucine-rich repeat kinase 2 (LRRK2) and mutants, such as G2019S, have potential utility in Parkinson’s disease treatment. Fragment hit-derived pyrrolo[2,3-d]pyrimidines underwent optimization using X-ray structures of LRRK2 kinase domain surrogates, based on checkpoint kinase 1 (CHK1) and a CHK1 10-point mutant. (2R)-2-Methylpyrrolidin-1-yl derivative 18 (LRRK2 G2019S cKi0.7 nM, LE 0.66) was identified, with increased potency consistent with an X-ray structure of 18 /CHK1 10-pt. mutant showing the 2-methyl substituent proximal to Ala147 (Ala2016 in LRRK2). Further structure-guided elaboration of 18 gave the 2-[(1,3-dimethyl-1H-pyrazol-4-yl)amino] derivative 32 . Optimization of 32 afforded diastereomeric oxolan-3-yl derivatives 44 and 45 , which demonstrated a favorablein vitroPK profile, although they displayed species disconnects in thein vivoPK profile, and a propensity for P-gp- and/or BCRP-mediated efflux in a mouse model. Compounds 44 and 45 demonstrated high potency and exquisite selectivity for LRRK2 and utility as chemical probes for the study of LRRK2 inhibition.