4439-22-9

Basic information

• Product Name: CHEMBRDG-BB 9072041
• Synonyms: 2-((furan-2-ylMethyl)aMino)ethanol;CHEMBRDG-BB 9072041;2-[(2-FURYLMETHYL)AMINO]ETHANOL;AKOS ISYA01109;UKRORGSYN-BB BBV-152240;2-[(2-furylmethyl)amino]ethanol(SALTDATA: FREE)
• CAS NO: 4439-22-9
• Molecular Formula: C₇H₁₁NO₂
• Molecular Weight: 141.169
• Mol File: 4439-22-9.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 259.2°C at 760 mmHg
• Flash Point: 110.6°C
• Appearance: /
• Density: 1.103g/cm³
• Vapor Pressure: 0.00669mmHg at 25°C
• Refractive Index: 1.503
• CAS DataBase Reference: CHEMBRDG-BB 9072041(CAS DataBase Reference)
• NIST Chemistry Reference: CHEMBRDG-BB 9072041(4439-22-9)
• EPA Substance Registry System: CHEMBRDG-BB 9072041(4439-22-9)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 4439-22-9(Hazardous Substances Data)

Usage

General Description

CHEMBRDG-BB 9072041 is a chemical compound with the chemical formula C16H22N2O2. It is also known as brevisamide and is categorized as an amide. This chemical is commonly used in the pharmaceutical industry for its potential biological activities, including its antifungal and antibacterial properties. It is also being studied for its potential applications in drug development and as a potential therapeutic agent for various diseases. The chemical structure and properties of CHEMBRDG-BB 9072041 make it a potentially valuable compound for further research and potential pharmaceutical applications.

InChI:InChI=1/C7H11NO2/c9-4-3-8-6-7-2-1-5-10-7/h1-2,5,8-9H,3-4,6H2

Upstream product

• 98-01-1 furfural 
• 1121-47-7 2-furaldehyde oxime 
• 141-43-5 ethanolamine 
• 819813-97-3 N-[2-(tetrahydropyran-2-yloxy)ethyl]furfurylamine 
• 10530-89-9 2-[(2-furylmethylene)amino]ethanol 
• 10530-89-9 2-ethanol 
• 617-89-0 furan-2-ylmethanamine 

Downstream Products

• 17793-36-1 3-furfuryl-2-phenyl-oxazolidine 
• 18552-44-8 2-tetrahydrofurfurylamino-ethanol 

Relevant articles and documents

Torii-Type Electrosynthesis of α,β-Unsaturated Esters from Furfurylated Ethylene Glycols and Amino Alcohols

Electrosynthesis of unsaturated esters from furan derivatives, reported by Torii et al. in 1976, is an attractive method for the valorization of furanoic platform chemicals. Nevertheless, it has received practically no attention, presumably due to specific reaction conditions including the use of expensive Pt electrodes. With the aim of expanding the application of Torii-type ester electrosynthesis, we explored the electrochemical transformation of O-furfuryl ethylene glycols and N-furfuryl amino alcohols to esters 5. These can be obtained in two consecutive electrochemical steps: bis-alkoxylation of the furan derived substrates 3 to give spirocycles 4, followed by ring-opening involving oxidative fragmentation of the C?C bond. Both steps can be carried out at ambient conditions, using inexpensive graphite electrodes; however, each step required a different supporting electrolyte and acidic additive to achieve good yields of the product. Additionally, conditions were found for efficient one-pot transformation of N-furfuryl amino alcohols to esters 5 while O-furfuryl ethylene glycols under the same conditions gave esters 5 in moderate yields.

Discovery of 2-[1-(4,4-Difluorocyclohexyl)piperidin-4-yl]-6-fluoro-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide (NMS-P118): A Potent, Orally Available, and Highly Selective PARP-1 Inhibitor for Cancer Therapy

The nuclear protein poly(ADP-ribose) polymerase-1 (PARP-1) has a well-established role in the signaling and repair of DNA and is a prominent target in oncology, as testified by the number of candidates in clinical testing that unselectively target both PARP-1 and its closest isoform PARP-2. The goal of our program was to find a PARP-1 selective inhibitor that would potentially mitigate toxicities arising from cross-inhibition of PARP-2. Thus, an HTS campaign on the proprietary Nerviano Medical Sciences (NMS) chemical collection, followed by SAR optimization, allowed us to discover 2-[1-(4,4-difluorocyclohexyl)piperidin-4-yl]-6-fluoro-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide (NMS-P118, 20by). NMS-P118 proved to be a potent, orally available, and highly selective PARP-1 inhibitor endowed with excellent ADME and pharmacokinetic profiles and high efficacy in vivo both as a single agent and in combination with Temozolomide in MDA-MB-436 and Capan-1 xenograft models, respectively. Cocrystal structures of 20by with both PARP-1 and PARP-2 catalytic domain proteins allowed rationalization of the observed selectivity.

HSP90 FAMILY PROTEIN INHIBITORS

The present invention provides Hsp90 family protein inhibitors comprising, as an active ingredient, a benzoyl compound represented by general formula (I): (wherein n represents an integer of 0 to 10; R1 represents substituted or unsubstituted lower alkoxy, substituted or unsubstituted lower alkoxycarbonyl, CONR7R8 or the like; R2 represents substituted or unsubstituted aryl, a substituted or unsubstituted aromatic heterocyclic group or the like; R3 and R5, which may be the same or different, each represent a hydrogen atom, substituted or unsubstituted lower alkyl, substituted or unsubstituted lower alkenyl or the like; and R4 and R6, which may be the same or different, each represent a hydrogen atom, halogen, substituted or unsubstituted lower alkyl, substituted or unsubstituted aryl or the like) or a prodrug thereof, or a pharmaceutically acceptable salt of said benzoyl compound or said prodrug.