863679-31-6

Basic information

• Product Name: 3-[(3-chloropropyl)thio]-4-methyl-5-(4-methyl-1,3-oxazol-5-yl)-4H-1,2,4-triazole
• Synonyms: 3-[(3-chloropropyl)thio]-4-methyl-5-(4-methyl-1,3-oxazol-5-yl)-4H-1,2,4-triazole
• CAS NO: 863679-31-6
• Molecular Formula: C₁₀H₁₃ClN₄OS
• Molecular Weight: 272.75
• Mol File: 863679-31-6.mol
• Article Data: 18

Chemical Properties

• Boiling Point: 463.3±55.0 °C(Predicted)
• Appearance: /
• Density: 1.43±0.1 g/cm3(Predicted)
• PKA: 0.11±0.10(Predicted)
• CAS DataBase Reference: 3-[(3-chloropropyl)thio]-4-methyl-5-(4-methyl-1,3-oxazol-5-yl)-4H-1,2,4-triazole(CAS DataBase Reference)
• NIST Chemistry Reference: 3-[(3-chloropropyl)thio]-4-methyl-5-(4-methyl-1,3-oxazol-5-yl)-4H-1,2,4-triazole(863679-31-6)
• EPA Substance Registry System: 3-[(3-chloropropyl)thio]-4-methyl-5-(4-methyl-1,3-oxazol-5-yl)-4H-1,2,4-triazole(863679-31-6)

Safety Data

• Hazardous Substances Data: 863679-31-6(Hazardous Substances Data)

Upstream product

• 109-70-6 1.3-chlorobromopropane 
• 170959-40-7 5-(4-methyl-5-oxazoyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione 
• 170959-40-7 4-methyl-5-(4-methyl-1,3-oxazol-5-yl)-4H-1,2,4-triazole-3-thiol 
• 2510-32-9 4-methyl-1,3-oxazole-5-carboxylic acid 
• 20485-39-6 ethyl 4-methyloxazole-5-carboxylate 
• 6610-29-3 4-methylthiosemicarbazide 

Downstream Products

• 863680-45-9 GSK₅₉₈₈₀₉ 
• 1250445-58-9 3-(3-{[4-methyl-5-(4-methyl-1,3-oxazol-5-yl)-4H-1,2,4-triazol-3-yl]thio}propyl)-1-phenyl-3-azabicyclo[4.1.0]heptane 
• 1250445-59-0 3-(3-{[4-methyl-5-(4-methyl-1,3-oxazol-5-yl)-4H-1,2,4-triazol-3-yl]thio}propyl)-6-phenyl-3-azabicyclo[4.1.0]heptane 
• 1250445-60-3 3-(3-{[4-methyl-5-(4-methyl-1,3-oxazol-5-yl)-4H-1,2,4-triazol-3-yl]thio}propyl)-1-[4-(trifluoromethyl)phenyl]-3-azabicyclo[4.1.0]heptane 
• 1250445-61-4 3-(3-{[4-methyl-5-(4-methyl-1,3-oxazol-5-yl)-4H-1,2,4-triazol-3-yl]thio}propyl)-6-[4-(trifluoromethyl)phenyl]-3-azabicyclo[4.1.0]heptane 
• 1250445-63-6 3-(3-{[4-methyl-5-(4-methyl-1,3-oxazol-5-yl)-4H-1,2,4-triazol-3-yl]thio}propyl)-6-[3-(trifluoromethyl)phenyl]-3-azabicyclo[4.1.0]heptane 

Relevant articles and documents

DOPAMINE D3 RECEPTOR ANTAGONISTS HAVING A MORPHOLINE MOIETY

The disclosure provides compounds of formula (I) or pharmaceutically acceptable salts thereof: The disclosure also provides processes for their preparation, intermediates used in these processes, pharmaceutical compositions containing them, and their use

1,2,4-Triazolyl octahydropyrrolo[2,3-b]pyrroles: A new series of potent and selective dopamine D3 receptor antagonists

A novel series of 1,2,4-triazolyl octahydropyrrolo[2,3-b]pyrroles showing high affinity and selectivity at the DA D3 receptor is reported here. Compounds endowed with high selectivity over the hERG channel were identified and their pharmacokinetic properties thoroughly analyzed. A few derivatives with appropriate developability characteristics were selected for further studies and progression along the screening cascade. In particular, derivative 60a, (DA D3 pKi = 8.4, DA D2 pKi = 6.0 and hERG fpKi = 5.2) showed a balanced profile and further refinements are in progress around this molecule.

Novel morpholine scaffolds as selective dopamine (DA) D3 receptor antagonists

A new series of morpholine derivatives has been identified as selective DA D3 receptor antagonists; their in vitro profile and pharmacokinetic data are provided.