1296202-02-2

Basic information

• Product Name: C₁₆H₁₉BrN₂O
• CAS NO: 1296202-02-2
• Molecular Weight: 335.244
• Mol File: 1296202-02-2.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: C₁₆H₁₉BrN₂O(CAS DataBase Reference)
• NIST Chemistry Reference: C₁₆H₁₉BrN₂O(1296202-02-2)
• EPA Substance Registry System: C₁₆H₁₉BrN₂O(1296202-02-2)

Safety Data

• Hazardous Substances Data: 1296202-02-2(Hazardous Substances Data)

Upstream product

• 52415-29-9 6-bromo-1H-indole 
• 101774-27-0 6-bromo-1H-indole-3-carboxylic acid 
• 3218-02-8 cyclohexylmethylamine 
• 79878-02-7 1-(6-bromo-1H-indol-3-yl)-2,2,2-trifluoroethan-1-one 

Relevant articles and documents

Discovery and optimization of indoles and 7-azaindoles as Rho kinase (ROCK) inhibitors (part-I)

Rho kinase (ROCK) inhibitors are potential therapeutic agents to treat disorders such as hypertension, multiple sclerosis, cancers, and glaucoma. Here, we disclose the synthesis, optimization, biological evaluation of potent indole and 7-azaindole based ROCK inhibitors that have high potency on ROCK (IC 50 = 1 nM) with 740-fold selectivity over PKA (47). Moreover, 47 showed very good DMPK properties making it a good candidate for further development. Finally, docking studies with a homology model of ROCK-II were performed to rationalize the binding mode of these compounds and showed the compounds bound in both orientations to take advantage to H-bonds with Lys-121 of ROCK-II.