123548-56-1

Basic information

• Product Name: 3,5-bis(acetoxyacetylamino)-4-chlorobenzonitrile
• Synonyms: 3,5-bis(acetoxyacetylamino)-4-chlorobenzonitrile;Acreozast;TYB 2285;VNVBCWREJHKWSG-UHFFFAOYSA-N
• CAS NO: 123548-56-1
• Molecular Formula: C₁₅H₁₄ClN₃O₆
• Molecular Weight: 367.74
• Mol File: 123548-56-1.mol
• Article Data: 2

Chemical Properties

• Melting Point: 193-195 °C(Solv: ethanol (64-17-5))
• Boiling Point: 588.3°Cat760mmHg
• Flash Point: 309.6°C
• Appearance: /
• Density: 1.43g/cm³
• Vapor Pressure: 8.03E-14mmHg at 25°C
• Refractive Index: 1.571
• PKA: 10.67±0.70(Predicted)
• CAS DataBase Reference: 3,5-bis(acetoxyacetylamino)-4-chlorobenzonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 3,5-bis(acetoxyacetylamino)-4-chlorobenzonitrile(123548-56-1)
• EPA Substance Registry System: 3,5-bis(acetoxyacetylamino)-4-chlorobenzonitrile(123548-56-1)

Safety Data

• Hazardous Substances Data: 123548-56-1(Hazardous Substances Data)

Usage

InChI:InChI=1/C15H14ClN3O6/c1-8(20)24-6-13(22)18-11-3-10(5-17)4-12(15(11)16)19-14(23)7-25-9(2)21/h3-4H,6-7H2,1-2H3,(H,18,22)(H,19,23)

Upstream product

• 34207-46-0 2-chloro-5-cyano-1,3-phenylenediamine 
• 13831-31-7 Acetoxyacetyl chloride 

Downstream Products

• 123548-57-2 3,5-bis(hydroxyacetylamino)-4-chlorobenzonitrile 

Relevant articles and documents

Novel antiallergic and antiinflammatory agents. Part II: Synthesis and pharmacology of TYB-2285 and its related compounds

A series of m-bis(glycoloylamino)benzene derivatives was synthesized by treatment of the corresponding m-diaminobenzene derivatives with glycoloyl chloride derivatives in pyridine. Hydrolysis of acetyl compounds gave hydroxy derivatives, from which other acyl derivatives could be synthesized. These compounds were tested in the rat PCA (passive cutaneous anaphylaxis) assay by oral administration. Benzonitrile derivatives (4c, 5c, 6c, 4h, 5h) exhibited notable inhibition in this assay. Compounds 5c and 6c also showed remarkable inhibition of eosinophil adhesion to TNF- (tumor necrosis factor) α-treated HUVEC (human umbilical vein endothelial cells) in the range of 10-8-10-5 M. Compound 5c is now under investigation in Japan as TYB-2285 (Structures of compounds 1 and 2, DSCG, Lodoxamide ethyl and TYB-2285.) for asthma and atopic dermatitis in phase II clinical studies. Copyright (C) 1998 Elsevier Science Ltd.