159014-14-9

Basic information

• Product Name: 1,2,5-Oxadiazole-3-carbonitrile,4-nitro-(9CI)
• Synonyms: 1,2,5-Oxadiazole-3-carbonitrile,4-nitro-(9CI)
• CAS NO: 159014-14-9
• Molecular Formula: C3N4O3
• Molecular Weight: 140.0571
• Product Categories: NITRO;NITRILE
• Mol File: 159014-14-9.mol
• Article Data: 5

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 1,2,5-Oxadiazole-3-carbonitrile,4-nitro-(9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: 1,2,5-Oxadiazole-3-carbonitrile,4-nitro-(9CI)(159014-14-9)
• EPA Substance Registry System: 1,2,5-Oxadiazole-3-carbonitrile,4-nitro-(9CI)(159014-14-9)

Safety Data

• Hazardous Substances Data: 159014-14-9(Hazardous Substances Data)

Usage

Chemical structure

A nitro-substituted derivative of 1,2,5-oxadiazole-3-carbonitrile

Family

Oxadiazole family of compounds

Industry use

Commonly used in the pharmaceutical industry for the synthesis of various drugs and pharmaceutical products

Biological activities

Has shown potential biological activities

Pharmacological properties

Has shown potential pharmacological properties

Drug discovery and development

Valuable compound for drug discovery and development

Potential use

Studied for its potential use in the treatment of various diseases and medical conditions

Versatility

Versatile compound with potential applications in medicine and pharmaceuticals
Please note that the specific content provided is limited to the information given in the material. Additional research may be required to obtain more detailed information about the compound.

Upstream product

• 156463-85-3 3-amino-1,2,5-oxadiazole-4-carbonitrile 

Relevant articles and documents

Discovery of Hydroxyamidine Based Inhibitors of IDO1 for Cancer Immunotherapy with Reduced Potential for Glucuronidation

Following the impressive success of checkpoint inhibitors in the treatment of cancer, combinations of IDO1 inhibitors with PD-1/PD-L1 antibodies are in clinical development aiming to increase response rates. Using the hydroxyamidine pharmacophore of the IDO1 inhibitor INCB14943 as a starting point for the design of new inhibitors, the potential shortcomings of extensive hydroxyamidine glucuronidation in humans was addressed. Compounds were optimized using a stability assay with recombinant UGT1A9 enzyme together with the measurement of glucuronide formation in human hepatocytes. Optimized analog 24 showed cellular and biochemical IDO1 IC50 values in the low nanomolar range, a suitable in vitro ADME/PK profile, and efficacy in an animal model of cancer. In a humanized liver mouse model the lead compound exhibited significantly reduced glucuronidation compared to epacadostat (2).

SUBSTITUTED N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3- DIOXYGENASE

The invention provides modulators of indoleamine 2,3-dioxygenase (IDO1) and their use in the prophylaxis and/or treatment of IDO1-mediated diseases. Specifically, the present invention provides compounds according to Formula (I) an enantiomer, diastereomer, tautomer or pharmaceutically acceptable salt thereof.

A new family of energetic salts based on oxy-bridged bis(dinitromethyl)furazan: Syntheses, characterization and properties

Energetic salts based on oxy-bridged bis(dinitromethyl)furazan (2) were synthesized and fully characterized by NMR (1H and 13C), IR spectroscopy, elemental analysis as well as differential scanning calorimetry (DSC). The crystal structures of neutral 2, its ammonium salt (4), guanidinium salt (7) and guanidylguanidinium salt (9) were also determined by single-crystal X-ray diffraction. Except for hydroxylammonium salt (5), all the remaining salts exhibit good thermal stabilities with decomposition temperature above 180 °C. Furthermore, the densities of salts ranged from 1.65 g cm-3 to 1.88 g cm-3. Theoretical calculations provided detonation pressures and velocities for the energetic salts within the range of 24.9-38.0 GPa and 7582.2-9072.7 m s-1, respectively.