54198-78-6

Basic information

• Product Name: 4-(BroMoMethyl)pyriMidine
• Synonyms: Pyrimidine, 4-(bromomethyl)-
• CAS NO: 54198-78-6
• Molecular Formula: C₅H₅BrN₂
• Molecular Weight: 173.0106
• Mol File: 54198-78-6.mol
• Article Data: 9

Chemical Properties

• Boiling Point: 232.6±15.0 °C(Predicted)
• Appearance: /
• Density: 1.641±0.06 g/cm3(Predicted)
• PKA: 0.98±0.10(Predicted)
• CAS DataBase Reference: 4-(BroMoMethyl)pyriMidine(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(BroMoMethyl)pyriMidine(54198-78-6)
• EPA Substance Registry System: 4-(BroMoMethyl)pyriMidine(54198-78-6)

Safety Data

• Hazardous Substances Data: 54198-78-6(Hazardous Substances Data)

Upstream product

• 49689-16-9 triazolo<1,5-c>pyrimidine 
• 68229-92-5 4-pyrimidinecarboxaldehyde hydrazone 
• 3438-46-8 4-Methylpyrimidine 
• 33581-98-5 4-(hydroxymethyl)pyrimidine 

Downstream Products

• 845907-72-4 ethyl 2-[(diphenylmethylidene)amino]-3-(pyrimidin-4-yl)propanoate 

Relevant articles and documents

NOVEL TETRAZOLE COMPOUNDS AND THEIR USE IN THE TREATMENT OF TUBERCULOSIS

The invention relates to a compound of Formula (I) or a pharmaceutically acceptable salt thereof and their use in therapy, for example in the treatment of mycobacterial infections or in the treatment of diseases caused by mycobacterium, such as tuberculosis.

Inhibition of the Cysteine Protease Human Cathepsin L by Triazine Nitriles: Amide???Heteroarene π-Stacking Interactions and Chalcogen Bonding in the S3 Pocket

We report an extensive “heteroarene scan” of triazine nitrile ligands of the cysteine protease human cathepsin L (hCatL) to investigate π-stacking on the peptide amide bond Gly67–Gly68 at the entrance of the S3 pocket. This heteroarene???peptide bond stacking was supported by a co-crystal structure of an imidazopyridine ligand with hCatL. Inhibitory constants (Ki) are strongly influenced by the diverse nature of the heterocycles and specific interactions with the local environment of the S3 pocket. Binding affinities vary by three orders of magnitude. All heteroaromatic ligands feature enhanced binding by comparison with hydrocarbon analogues. Predicted energetic contributions from the orientation of the local dipole moments of heteroarene and peptide bond could not be confirmed. Binding of benzothienyl (Ki=4 nm) and benzothiazolyl (Ki=17 nm) ligands was enhanced by intermolecular C?S???O=C interactions (chalcogen bonding) with the backbone C=O of Asn66 in the S3 pocket. The ligands were also tested for the related enzyme rhodesain.

IMIDAZOTRIAZINONE COMPOUNDS

The present invention provides imidazotriazinone compounds which are inhibitors of phosphodiesterase 9 and pharmaceutically acceptable salt thereof. The present invention further provides processes, pharmaceutical compositions, pharmaceutical preparations and pharmaceutical use of the compounds in the treatment of PDE9 associated diseases or disorders in mammals, including humans.