1093649-88-7

Basic information

• Product Name: AKOS BBS-00007039
• Synonyms: AKOS BBS-00007039;IFLAB-BB F2130-0031;3-(4-Hydroxyphenyl)-1H-pyrazole-5-carboxylic acid
• CAS NO: 1093649-88-7
• Molecular Formula: C₁₀H₈N₂O₃
• Molecular Weight: 204.19
• Mol File: 1093649-88-7.mol
• Article Data: 3

Chemical Properties

• Appearance: /
• CAS DataBase Reference: AKOS BBS-00007039(CAS DataBase Reference)
• NIST Chemistry Reference: AKOS BBS-00007039(1093649-88-7)
• EPA Substance Registry System: AKOS BBS-00007039(1093649-88-7)

Safety Data

• Hazard Codes: Xn
• Statements: 22
• Hazardous Substances Data: 1093649-88-7(Hazardous Substances Data)

Upstream product

• 100-06-1 1-(4-methoxyphenyl)ethanone 
• 192701-83-0 methyl 5-(4-methoxyphenyl)-1H-pyrazole-3-carboxylate 
• 27069-16-5 5-(4-methoxyphenyl)-1H-pyrazole-3-carboxylic acid 
• 108-95-2 phenol 
• 99-93-4 4-Hydroxyacetophenone 
• 96472-12-7 5-(4-hydroxy-phenyl)-1H-pyrazole-3-carboxylic acid ethyl ester 

Downstream Products

• 1188372-98-6 5-(4-hydroxy-phenyl)-1H-pyrazole-3-carboxylic acid {2-oxo-2-[4-(3-trifluoromethyl-phenoxy)-piperidin-1-yl]-ethyl}-amide 
• 1188372-36-2 5-(4-hydroxyphenyl)-1H-pyrazole-3-carboxylic acid {2-[4-(2-chlorophenylamino)piperidin-1-yl]-2-oxoethyl}amide 

Relevant articles and documents

Synthesis, biological evaluation and molecular modeling studies of psammaplin A and its analogs as potent histone deacetylases inhibitors and cytotoxic agents

In this study, a concise synthetic method of psammaplin A was achieved from 3-bromo-4-hydroxybenzaldahyde and hydantoin through a four-step synthesis via Knoevenagel condensation, hydrolysis, oximation and amidation in 37% overall yield. A collection of novel psammaplin A analogs focused on the variations of substituents at the benzene ring and modifications at the oxime moiety were synthesized. Among all the synthesized compounds, 5d and 5e showed better HDAC inhibition than psammaplin A and comparable cytotoxicity against four cancer cell lines (PC-3, MCF-7, A549 and HL-60). Molecular docking and dynamics simulation revealed that (i) hydrogen atom of the oxime group interacts with Asp99 of HDAC1 through a water bridged hydrogen bond and (ii) a hydroxyl group is optimal attached on the para-position of benzene, interacting with Glu203 at the entrance to the active site tunnel.

NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE

The present invention relates to piperidine derivatives that act as inhibitors of stearoyl-CoA desaturase. The invention also relates to methods of preparing the compounds, compositions containing the compounds, and to methods of treatment using the compounds.