86477-10-3

Basic information

• Product Name: 4H-Pyrrolo [1,2-C][1,2,3] oxadiazol -7-ium, 5,6-Dihydro -3-Hydroxy -, inner Salt
• Synonyms: 4H-Pyrrolo [1,2-C][1,2,3] oxadiazol -7-ium, 5,6-Dihydro -3-Hydroxy -, inner Salt;5,6-dihydro-4H-Pyrrolo[1,2-b]pyrazole-3-carboxylic acid ethyl ester;4H-Pyrrolo[1,2-b]pyrazole-3-carboxylic acid, 5,6-dihydro-, ethyl ester
• CAS NO: 86477-10-3
• Molecular Formula: C₉H₁₂N₂O₂
• Molecular Weight: 126.11334
• EINECS: -0
• Mol File: 86477-10-3.mol
• Article Data: 7

Chemical Properties

• Melting Point: 40-42 °C
• Boiling Point: 319.1±30.0 °C(Predicted)
• Appearance: /
• Density: 1.29±0.1 g/cm3(Predicted)
• PKA: 0.71±0.20(Predicted)
• CAS DataBase Reference: 4H-Pyrrolo [1,2-C][1,2,3] oxadiazol -7-ium, 5,6-Dihydro -3-Hydroxy -, inner Salt(CAS DataBase Reference)
• NIST Chemistry Reference: 4H-Pyrrolo [1,2-C][1,2,3] oxadiazol -7-ium, 5,6-Dihydro -3-Hydroxy -, inner Salt(86477-10-3)
• EPA Substance Registry System: 4H-Pyrrolo [1,2-C][1,2,3] oxadiazol -7-ium, 5,6-Dihydro -3-Hydroxy -, inner Salt(86477-10-3)

Safety Data

• Hazardous Substances Data: 86477-10-3(Hazardous Substances Data)

Upstream product

• 86477-05-6 C₅H₆N₂O₂ 
• 623-47-2 propynoic acid ethyl ester 
• 98262-66-9 3a,4,5,6-tetrahydro-3-oxo-3H-pyrrolo[1,2-c][1,2,3]oxadiazol-7-ium ylide 

Downstream Products

• 796729-10-7 5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxylic acid 
• 796729-03-8 5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-2-carboxylic acid 

Relevant articles and documents

Design, synthesis and biological evaluation of ring-fused pyrazoloamino pyridine/pyrimidine derivatives as potential FAK inhibitors

We report herein the synthesis of novel ring-fused pyrazoloamino pyridine/pyrimidine derivatives as potential FAK inhibitors and the evaluation of pharmaceutical activity against five cancer cell lines (MDA-MB-231, BXPC-3, NCI-H1975, DU145 and 786O). Generally, the majority of compounds displayed strong anti-FAK enzymatic potencies (IC50 1 nM) and could effectively inhibit several class of cancer cell lines within the concentration of 3 μM in comparison with GSK2256098 as a reference. Among them, compound 4o is considered to be the most effective due to high sensitivity in antiproliferation. In culture, 4o could not only inhibit FAK Y397 phosphorylation in MDA-MB-231 cell line, but also trigger apoptosis in a dose-dependent manner. Furthermore, computational docking analysis also suggested that 4o and TAE-226 displayed the similar interaction with FAK kinase domain.

PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS FOR USE IN THE TREATMENT OF PARKINSON'S DISEASE

Compounds of formula (I) or pharmaceutically acceptable salts thereof, wherein X, R1, R2, R3 and A are as defined herein. Also disclosed are methods of making the compounds and using the compounds for treatment of diseases associated with LRRK2 receptor, such as Parkinson's disease

Process for synthesizing beta-lactamase inhibitor intermediates

There is provided a process for the preparation of bicyclicheteroaryl carboxaldehydes having the structural Formula I where X and Y are defined in the specification The bicyclic heteroaryl carboxaldehydes are useful as intermediates in the preparation of β-lactamase inhibitors.