213473-00-8

Basic information

• Product Name: 2-Pyrimidinamine, 4-(5-bromo-1H-indol-3-yl)-
• Synonyms: 2-Pyrimidinamine, 4-(5-bromo-1H-indol-3-yl)- ;4-(5-bromo-1H-indol-3-yl)pyrimidin-2-amine
• CAS NO: 213473-00-8
• Molecular Formula: C12H9BrN4
• Molecular Weight: 289.13066
• Mol File: 213473-00-8.mol
• Article Data: 12

Chemical Properties

• Melting Point: 103-106 °C
• Boiling Point: 594.4±60.0 °C(Predicted)
• Appearance: /
• Density: 1.680±0.06 g/cm3(Predicted)
• Storage Temp.: 2-8°C(protect from light)
• PKA: 14.31±0.30(Predicted)
• CAS DataBase Reference: 2-Pyrimidinamine, 4-(5-bromo-1H-indol-3-yl)-(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Pyrimidinamine, 4-(5-bromo-1H-indol-3-yl)-(213473-00-8)
• EPA Substance Registry System: 2-Pyrimidinamine, 4-(5-bromo-1H-indol-3-yl)-(213473-00-8)

Safety Data

• Hazardous Substances Data: 213473-00-8(Hazardous Substances Data)

Upstream product

• 1207175-18-5 2-amino-4-ethynylpyrimidine 
• 3623-23-2 4-bromonitrosobenzene 
• 290333-07-2 (E)-1-(5-bromo-1-tosyl-1H-indol-3-yl)-3-(dimethylamino)prop-2-en-1-one 
• 593-84-0 guanidinium thiocyanate 
• 109-86-4 2-methoxy-ethanol 
• 341998-57-0 (E)-1-(5-bromo-1-tosyl-1H-indol-3-yl)-3-(dimethylamino)prop-2-en-1-one 
• 50-01-1 guanidine hydrochloride 
• 124-46-9 guanidine hydrogen carbonate 
• 1538583-15-1 C₂₆H₃₅BrN₄O₆SSi 
• 19620-90-7 1-(5-bromo-1H-indol-3-yl)ethan-1-one 
• 265111-01-1 1-(5-bromo-1-tosyl-1H-indol-3-yl)ethan-1-one 
• 96546-77-9 N-tosyl-5-bromoindole 
• 10075-50-0 5-bromo-1H-indole 
• 113-00-8 guanidine nitrate 

Relevant articles and documents

Discovery of novel indoleaminopyrimidine NIK inhibitors based on molecular docking-based support vector regression (SVR) model

A set of NF-κB-inducing kinase (NIK) inhibitors was used to develop a molecular docking-based QSAR model by using nonlinear regression method. The accuracy of the QSAR model was remarkably improved by integrating the docking scores and key interaction pro

Meridianin derivatives as potent Dyrk1A inhibitors and neuroprotective agents

Meridianins are a group of marine-derived indole alkaloids which are reported to possess kinase inhibitory activities. In the present Letter, we report synthesis of N1-substituted and C-ring modified meridianin derivatives and their evaluation as Dyrk1A inhibitors and neuroprotective agents. Among the library of 52 compounds screened, morpholinoyl linked derivative 26b and 2-nitro-4-trifluoromethyl phenyl sulfonyl derivative 29v displayed potent inhibition of Dyrk1A with IC50 values of 0.5 and 0.53 μM, respectively. The derivative 26b also inhibited Dyrk2 and Dyrk3 with IC50 values of 1.4 and 2.2 μM, respectively showing 2.2 and 4.4 fold selectivity for Dyrk1A with respect to Dyrk2 and Dyrk3. The compound 26b was not cytotoxic to human neuroblastoma SH-SY5Y cells (IC50 >100 μM) and it displayed significant neuroprotection against glutamate-induced neurotoxicity in these cells at 10 μM. Molecular modelling studies of compound 26b led to identification of key interactions in the binding site of Dyrk1A and the possible reasons for observed Dyrk1A selectivity over Dyrk2.

Concise syntheses of meridianins and meriolins using a catalytic domino amino-palladation reaction

A synthesis of natural and synthetic members of the meridianin family of kinase inhibitory natural products has been developed. The sequence utilizes a variation of the Cacchi palladium-catalyzed domino reaction to efficiently construct the heterocyclic f